Other peptides

Cas#: 185413-30-3        Compound CID:  16135237

Formula:  C₉₆H₁₂₃N₁₉O₂₂        Molecular Weight: 1895.12

IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

SMILES: CC(C)CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCN3C(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)C7CCCN7C(=O)C(C(C)O)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

InChIKey: VASLMBMCJADVGR-XQDBXYBUSA-N

InChI: InChI=1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-26-57)110-93(134)78-37-40-115(78)94(135)68(33-35-79(97)120)106-88(129)72(45-58-27-31-62(119)32-28-58)108-89(130)73(46-59-48-99-65-21-13-11-19-63(59)65)104-80(121)50-101-91(132)76-23-15-39-114(76)96(137)82(54(6)116)112-90(131)74(47-60-49-100-66-22-14-12-20-64(60)66)109-85(126)67(34-36-81(122)123)105-87(128)70(103-55(7)117)43-56-17-9-8-10-18-56/h8-14,17-22,25-32,48-49,51-54,67-78,82,99-100,116,118-119H,15-16,23-24,33-47,50H2,1-7H3,(H2,97,120)(H2,98,124)(H,101,132)(H,102,127)(H,103,117)(H,104,121)(H,105,128)(H,106,129)(H,107,133)(H,108,130)(H,109,126)(H,110,134)(H,111,125)(H,112,131)(H,122,123)/t53-,54+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/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](N)CO)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(=O)O)[C@@H](C)O)C(C)C

InChIKey: IAZLNMARDOOODL-PRZASUQOSA-N

InChI: InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,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](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]1CCCN1C(=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(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: KGMHLNCUUWACQT-CCSRBEGYSA-N

InChI: InChI=1S/C190H286N54O56S/c1-15-95(7)149(178(291)232-129(84-142(194)254)168(281)225-124(77-94(5)6)170(283)238-150(96(8)16-2)179(292)239-151(101(13)247)180(293)222-117(32-22-69-208-190(202)203)156(269)220-119(58-61-141(193)253)161(274)218-116(31-21-68-207-189(200)201)159(272)234-133(186(299)300)82-106-46-56-112(252)57-47-106)237-171(284)127(81-105-44-54-111(251)55-45-105)228-167(280)128(83-107-88-204-92-210-107)229-158(271)115(30-20-67-206-188(198)199)219-164(277)123(76-93(3)4)224-154(267)98(10)212-172(285)134(90-245)235-166(279)126(80-104-42-52-110(250)53-43-104)227-165(278)125(79-103-40-50-109(249)51-41-103)226-157(270)114(29-19-66-205-187(196)197)216-152(265)97(9)211-155(268)121(64-75-301-14)221-169(282)131(87-148(263)264)231-162(275)120(60-63-146(259)260)217-153(266)99(11)213-175(288)137-34-24-70-240(137)181(294)100(12)214-163(276)130(86-147(261)262)230-160(273)118(59-62-145(257)258)215-144(256)89-209-174(287)136-33-23-72-242(136)184(297)132(85-143(195)255)233-176(289)139-36-26-73-243(139)185(298)140-37-27-74-244(140)183(296)122(28-17-18-65-191)223-173(286)135(91-246)236-177(290)138-35-25-71-241(138)182(295)113(192)78-102-38-48-108(248)49-39-102/h38-57,88,92-101,113-140,149-151,245-252H,15-37,58-87,89-91,191-192H2,1-14H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,287)(H,211,268)(H,212,285)(H,213,288)(H,214,276)(H,215,256)(H,216,265)(H,217,266)(H,218,274)(H,219,277)(H,220,269)(H,221,282)(H,222,293)(H,223,286)(H,224,267)(H,225,281)(H,226,270)(H,227,278)(H,228,280)(H,229,271)(H,230,273)(H,231,275)(H,232,291)(H,233,289)(H,234,272)(H,235,279)(H,236,290)(H,237,284)(H,238,283)(H,239,292)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t95-,96-,97-,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-,149-,150-,151-/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