Other peptides

Cas#: 189691-06-3        Compound CID:  9941379

Formula:  C₅₀H₆₈N₁₄O₁₀        Molecular Weight: 1025.19

IUPAC Name: (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid

SMILES: CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C

InChIKey: FFHBJDQSGDNCIV-MFVUMRCOSA-N

InChI: InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: KUMVUFICIDUBDZ-ZVYVYBDNSA-N

InChI: InChI=1S/C180H275N53O56S/c1-15-88(7)140(170(282)223-120(76-132(183)242)160(272)215-115(70-87(5)6)163(275)229-141(89(8)16-2)171(283)230-142(94(13)236)172(284)212-108(32-23-64-198-180(191)192)148(260)210-110(52-55-131(182)241)153(265)208-107(31-22-63-197-179(189)190)151(263)225-125(176(288)289)74-98-42-50-103(240)51-43-98)228-164(276)118(73-97-40-48-102(239)49-41-97)218-159(271)119(75-99-81-193-85-200-99)219-150(262)106(30-21-62-196-178(187)188)209-156(268)114(69-86(3)4)214-145(257)91(10)202-165(277)126(83-234)227-158(270)117(72-96-38-46-101(238)47-39-96)217-157(269)116(71-95-36-44-100(237)45-37-95)216-149(261)105(29-20-61-195-177(185)186)206-143(255)90(9)201-147(259)112(58-68-290-14)211-161(273)122(79-138(251)252)221-154(266)111(54-57-136(247)248)207-144(256)92(11)203-168(280)129-34-25-65-231(129)173(285)93(12)204-155(267)121(78-137(249)250)220-152(264)109(53-56-135(245)246)205-134(244)82-199-167(279)128-33-24-66-232(128)175(287)124(77-133(184)243)224-162(274)123(80-139(253)254)222-169(281)130-35-26-67-233(130)174(286)113(27-17-18-59-181)213-166(278)127(84-235)226-146(258)104-28-19-60-194-104/h36-51,81,85-94,104-130,140-142,194,234-240H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,193,200)(H,199,279)(H,201,259)(H,202,277)(H,203,280)(H,204,267)(H,205,244)(H,206,255)(H,207,256)(H,208,265)(H,209,268)(H,210,260)(H,211,273)(H,212,284)(H,213,278)(H,214,257)(H,215,272)(H,216,261)(H,217,269)(H,218,271)(H,219,262)(H,220,264)(H,221,266)(H,222,281)(H,223,282)(H,224,274)(H,225,263)(H,226,258)(H,227,270)(H,228,276)(H,229,275)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,288,289)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: BJKPGURDHQQYOX-QGTLAHJGSA-N

InChI: InChI=1S/C135H208N40O37/c1-15-68(9)105(128(208)170-97(60-102(137)183)123(203)164-92(54-67(7)8)125(205)174-106(69(10)16-2)129(209)175-107(73(14)177)130(210)161-87(26-21-51-151-135(144)145)112(192)160-88(43-45-101(136)182)116(196)158-86(25-20-50-150-134(142)143)115(195)171-99(131(211)212)58-77-33-41-82(181)42-34-77)173-126(206)95(57-76-31-39-81(180)40-32-76)167-122(202)96(59-78-62-146-64-152-78)168-114(194)85(24-19-49-149-133(140)141)159-119(199)91(53-66(5)6)162-110(190)72(13)155-127(207)100(63-176)172-121(201)94(56-75-29-37-80(179)38-30-75)166-120(200)93(55-74-27-35-79(178)36-28-74)165-113(193)84(23-18-48-148-132(138)139)156-108(188)71(12)154-118(198)90(52-65(3)4)163-124(204)98(61-104(186)187)169-117(197)89(44-46-103(184)185)157-109(189)70(11)153-111(191)83-22-17-47-147-83/h27-42,62,64-73,83-100,105-107,147,176-181H,15-26,43-61,63H2,1-14H3,(H2,136,182)(H2,137,183)(H,146,152)(H,153,191)(H,154,198)(H,155,207)(H,156,188)(H,157,189)(H,158,196)(H,159,199)(H,160,192)(H,161,210)(H,162,190)(H,163,204)(H,164,203)(H,165,193)(H,166,200)(H,167,202)(H,168,194)(H,169,197)(H,170,208)(H,171,195)(H,172,201)(H,173,206)(H,174,205)(H,175,209)(H,184,185)(H,186,187)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: CDGOTJUJFRUDRO-QJAFYHIKSA-N

InChI: InChI=1S/C176H270N52O55/c1-16-86(9)137(166(276)219-118(73-129(180)237)157(267)211-113(67-85(7)8)160(270)224-138(87(10)17-2)167(277)225-139(92(15)231)168(278)207-106(31-23-61-194-176(188)189)144(254)206-108(51-54-128(179)236)149(259)204-105(30-22-60-193-175(186)187)147(257)221-123(172(282)283)71-96-41-49-101(235)50-42-96)223-161(271)116(70-95-39-47-100(234)48-40-95)214-156(266)117(72-97-78-190-82-196-97)215-146(256)104(29-21-59-192-174(184)185)205-153(263)112(66-84(5)6)209-142(252)89(12)198-162(272)124(81-230)222-155(265)115(69-94-37-45-99(233)46-38-94)213-154(264)114(68-93-35-43-98(232)44-36-93)212-145(255)103(28-20-58-191-173(182)183)202-140(250)88(11)197-151(261)111(65-83(3)4)210-158(268)120(76-135(246)247)217-150(260)109(53-56-133(242)243)203-141(251)90(13)199-164(274)126-33-25-62-226(126)169(279)91(14)200-152(262)119(75-134(244)245)216-148(258)107(52-55-132(240)241)201-131(239)79-195-163(273)125-32-24-63-227(125)171(281)122(74-130(181)238)220-159(269)121(77-136(248)249)218-165(275)127-34-26-64-228(127)170(280)110(27-18-19-57-177)208-143(253)102(178)80-229/h35-50,78,82-92,102-127,137-139,229-235H,16-34,51-77,79-81,177-178H2,1-15H3,(H2,179,236)(H2,180,237)(H2,181,238)(H,190,196)(H,195,273)(H,197,261)(H,198,272)(H,199,274)(H,200,262)(H,201,239)(H,202,250)(H,203,251)(H,204,259)(H,205,263)(H,206,254)(H,207,278)(H,208,253)(H,209,252)(H,210,268)(H,211,267)(H,212,255)(H,213,264)(H,214,266)(H,215,256)(H,216,258)(H,217,260)(H,218,275)(H,219,276)(H,220,269)(H,221,257)(H,222,265)(H,223,271)(H,224,270)(H,225,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t86-,87-,88-,89-,90-,91-,92+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,137-,138-,139-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: GUKLQUDKMJJAKW-XLUSCKSJSA-N

InChI: InChI=1S/C181H277N53O56/c1-16-89(9)141(171(283)224-121(76-133(184)243)161(273)216-116(70-88(7)8)164(276)230-142(90(10)17-2)172(284)231-143(95(15)237)173(285)212-109(33-24-64-199-181(192)193)148(260)211-111(53-56-132(183)242)153(265)209-108(32-23-63-198-180(190)191)151(263)226-126(177(289)290)74-99-43-51-104(241)52-44-99)229-165(277)119(73-98-41-49-103(240)50-42-98)219-160(272)120(75-100-81-194-85-201-100)220-150(262)107(31-22-62-197-179(188)189)210-157(269)115(69-87(5)6)214-146(258)92(12)203-166(278)127(83-235)228-159(271)118(72-97-39-47-102(239)48-40-97)218-158(270)117(71-96-37-45-101(238)46-38-96)217-149(261)106(30-21-61-196-178(186)187)207-144(256)91(11)202-155(267)114(68-86(3)4)215-162(274)123(79-139(252)253)222-154(266)112(55-58-137(248)249)208-145(257)93(13)204-169(281)130-35-26-65-232(130)174(286)94(14)205-156(268)122(78-138(250)251)221-152(264)110(54-57-136(246)247)206-135(245)82-200-168(280)129-34-25-66-233(129)176(288)125(77-134(185)244)225-163(275)124(80-140(254)255)223-170(282)131-36-27-67-234(131)175(287)113(28-18-19-59-182)213-167(279)128(84-236)227-147(259)105-29-20-60-195-105/h37-52,81,85-95,105-131,141-143,195,235-241H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,194,201)(H,200,280)(H,202,267)(H,203,278)(H,204,281)(H,205,268)(H,206,245)(H,207,256)(H,208,257)(H,209,265)(H,210,269)(H,211,260)(H,212,285)(H,213,279)(H,214,258)(H,215,274)(H,216,273)(H,217,261)(H,218,270)(H,219,272)(H,220,262)(H,221,264)(H,222,266)(H,223,282)(H,224,283)(H,225,275)(H,226,263)(H,227,259)(H,228,271)(H,229,277)(H,230,276)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,289,290)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC

InChIKey: XKWCTHKJQNUFOQ-HRPSIEBRSA-N

InChI: InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

InChIKey: DVSSIQOSVMXRLH-HDTKZREISA-N

InChI: InChI=1S/C190H288N54O57/c1-92(2)74-125(167(282)217-115(28-19-67-206-188(198)199)160(275)233-132(83-107-86-204-91-210-107)172(287)232-131(82-106-43-53-112(253)54-44-106)170(285)227-126(75-93(3)4)168(283)234-133(84-143(194)255)173(288)228-128(77-95(7)8)174(289)239-150(96(9)10)181(296)240-151(101(15)248)182(297)223-117(30-21-69-208-190(202)203)157(272)219-119(55-60-142(193)254)162(277)216-114(27-18-66-205-187(196)197)158(273)225-124(152(195)267)79-103-37-47-109(250)48-38-103)229-176(291)135(88-245)236-154(269)97(11)211-165(280)129(80-104-39-49-110(251)50-40-104)231-171(286)130(81-105-41-51-111(252)52-42-105)230-159(274)116(29-20-68-207-189(200)201)218-175(290)136(89-246)237-169(284)127(76-94(5)6)226-164(279)121(58-63-147(261)262)220-163(278)122(59-64-148(263)264)222-180(295)141-34-25-73-244(141)186(301)137(90-247)238-155(270)98(12)212-166(281)134(85-149(265)266)235-161(276)118(56-61-145(257)258)215-144(256)87-209-177(292)138-31-22-70-241(138)183(298)100(14)214-156(271)120(57-62-146(259)260)221-179(294)140-33-24-72-243(140)185(300)123(26-16-17-65-191)224-153(268)99(13)213-178(293)139-32-23-71-242(139)184(299)113(192)78-102-35-45-108(249)46-36-102/h35-54,86,91-101,113-141,150-151,245-253H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,292)(H,211,280)(H,212,281)(H,213,293)(H,214,271)(H,215,256)(H,216,277)(H,217,282)(H,218,290)(H,219,272)(H,220,278)(H,221,294)(H,222,295)(H,223,297)(H,224,268)(H,225,273)(H,226,279)(H,227,285)(H,228,288)(H,229,291)(H,230,274)(H,231,286)(H,232,287)(H,233,275)(H,234,283)(H,235,276)(H,236,269)(H,237,284)(H,238,270)(H,239,289)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1

IUPAC Name: (4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide

SMILES: NC(=NCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N

InChIKey: HDHDTKMUACZDAA-PHNIDTBTSA-N

InChI: InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1