Other peptides

Cas#: 151804-77-2        Compound CID:  16133792

Formula:  C₁₂₇H₂₀₅N₃₇O₄₀        Molecular Weight: 2890.24

IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

SMILES: CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C

InChIKey: ZLFXHYNEZYAYPG-AABHONRUSA-N

InChI: InChI=1S/C127H205N37O40/c1-59(2)44-81(156-122(200)99(63(9)10)142-68(15)171)105(183)139-54-96(178)143-74(22-16-18-40-128)106(184)151-84(47-62(7)8)114(192)159-90(57-166)119(197)148-77(34-37-92(130)174)108(186)146-79(36-39-98(180)181)109(187)153-83(46-61(5)6)113(191)154-85(50-71-53-137-58-141-71)115(193)145-75(23-17-19-41-129)107(185)152-82(45-60(3)4)112(190)147-78(35-38-93(131)175)111(189)162-103(67(14)170)125(203)158-88(49-70-28-32-73(173)33-29-70)126(204)164-43-21-25-91(164)120(198)149-76(24-20-42-138-127(135)136)110(188)161-102(66(13)169)124(202)157-87(52-95(133)177)117(195)160-100(64(11)167)121(199)140-55-97(179)144-89(56-165)118(196)155-86(51-94(132)176)116(194)163-101(65(12)168)123(201)150-80(104(134)182)48-69-26-30-72(172)31-27-69/h26-33,53,58-67,74-91,99-103,165-170,172-173H,16-25,34-52,54-57,128-129H2,1-15H3,(H2,130,174)(H2,131,175)(H2,132,176)(H2,133,177)(H2,134,182)(H,137,141)(H,139,183)(H,140,199)(H,142,171)(H,143,178)(H,144,179)(H,145,193)(H,146,186)(H,147,190)(H,148,197)(H,149,198)(H,150,201)(H,151,184)(H,152,185)(H,153,187)(H,154,191)(H,155,196)(H,156,200)(H,157,202)(H,158,203)(H,159,192)(H,160,195)(H,161,188)(H,162,189)(H,163,194)(H,180,181)(H4,135,136,138)/t64-,65-,66-,67-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,99+,100+,101+,102+,103+/m1/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChIKey: ITFICYZHWXDVMU-IPTZIORSSA-N

InChI: InChI=1S/C110H173N29O34S2/c1-12-54(6)85(134-95(158)65(29-22-41-118-110(116)117)122-101(164)76(52-174)133-102(165)77-30-23-42-139(77)108(171)74(44-53(4)5)132-106(169)88(57(9)141)138-105(168)87(56(8)14-3)136-107(170)89(58(10)142)137-99(162)73(48-84(151)152)130-100(163)75(51-140)121-81(146)50-120-90(153)62(112)31-37-82(147)148)103(166)126-64(28-20-21-40-111)91(154)123-67(33-36-79(114)144)93(156)128-70(45-59-24-16-15-17-25-59)98(161)135-86(55(7)13-2)104(167)131-72(47-80(115)145)97(160)125-68(39-43-175-11)94(157)129-71(46-60-49-119-63-27-19-18-26-61(60)63)96(159)124-66(32-35-78(113)143)92(155)127-69(109(172)173)34-38-83(149)150/h15-19,24-27,49,53-58,62,64-77,85-89,119,140-142,174H,12-14,20-23,28-48,50-52,111-112H2,1-11H3,(H2,113,143)(H2,114,144)(H2,115,145)(H,120,153)(H,121,146)(H,122,164)(H,123,154)(H,124,159)(H,125,160)(H,126,166)(H,127,155)(H,128,156)(H,129,157)(H,130,163)(H,131,167)(H,132,169)(H,133,165)(H,134,158)(H,135,161)(H,136,170)(H,137,162)(H,138,168)(H,147,148)(H,149,150)(H,151,152)(H,172,173)(H4,116,117,118)/t54-,55-,56-,57+,58+,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

InChIKey: JHPLDUFKMYOICI-HIQIDBLNSA-N

InChI: InChI=1S/C107H182N30O27/c1-10-62(8)87(105(162)127-72(41-43-82(115)139)94(151)132-79(56-83(116)140)101(158)133-80(57-85(143)144)102(159)128-74(106(163)164)39-22-28-50-113)137-96(153)70(38-21-27-49-112)125-103(160)81(58-138)135-100(157)77(54-64-30-13-11-14-31-64)131-98(155)76(53-60(4)5)130-91(148)68(36-19-25-47-110)121-93(150)73(42-44-84(141)142)126-97(154)75(52-59(2)3)129-92(149)71(40-29-51-119-107(117)118)123-90(147)67(35-18-24-46-109)124-99(156)78(55-65-32-15-12-16-33-65)134-104(161)86(61(6)7)136-95(152)69(37-20-26-48-111)122-89(146)66(34-17-23-45-108)120-88(145)63(9)114/h11-16,30-33,59-63,66-81,86-87,138H,10,17-29,34-58,108-114H2,1-9H3,(H2,115,139)(H2,116,140)(H,120,145)(H,121,150)(H,122,146)(H,123,147)(H,124,156)(H,125,160)(H,126,154)(H,127,162)(H,128,159)(H,129,149)(H,130,148)(H,131,155)(H,132,151)(H,133,158)(H,134,161)(H,135,157)(H,136,152)(H,137,153)(H,141,142)(H,143,144)(H,163,164)(H4,117,118,119)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC

InChIKey: LZOIGVDSAMDBIO-LXWJMTKESA-N

InChI: InChI=1S/C55H86N10O13S/c1-11-31(7)44(52(74)60-38(24-29(3)4)49(71)65-46(33(9)66)54(76)62-42(55(77)78)25-30(5)6)64-51(73)41(28-43(57)68)61-53(75)45(32(8)12-2)63-50(72)40(26-34-16-14-13-15-17-34)59-48(70)39(27-35-18-20-36(67)21-19-35)58-47(69)37(56)22-23-79-10/h13-21,29-33,37-42,44-46,66-67H,11-12,22-28,56H2,1-10H3,(H2,57,68)(H,58,69)(H,59,70)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,71)(H,77,78)/t31-,32-,33+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1

SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N

InChIKey: KWLGDIDCTYJFLH-URZJMNTHSA-N

InChI: InChI=1S/C102H163N33O31/c1-52(2)35-63(90(156)133-72(48-138)95(161)118-55(7)83(149)114-43-77(142)120-71(47-137)97(163)134-81(54(5)6)99(165)130-69(41-80(146)147)94(160)127-67(39-58-42-111-51-117-58)92(158)122-60(82(106)148)26-15-17-31-104)125-87(153)62(28-19-33-113-102(109)110)124-93(159)68(40-79(144)145)128-89(155)64(36-53(3)4)129-98(164)75-29-20-34-135(75)100(166)74(50-140)121-78(143)45-115-85(151)65(37-56-21-10-8-11-22-56)119-76(141)44-116-86(152)70(46-136)131-91(157)66(38-57-23-12-9-13-24-57)126-96(162)73(49-139)132-88(154)61(27-18-32-112-101(107)108)123-84(150)59(105)25-14-16-30-103/h8-13,21-24,42,51-55,59-75,81,136-140H,14-20,25-41,43-50,103-105H2,1-7H3,(H2,106,148)(H,111,117)(H,114,149)(H,115,151)(H,116,152)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,158)(H,123,150)(H,124,159)(H,125,153)(H,126,162)(H,127,160)(H,128,155)(H,129,164)(H,130,165)(H,131,157)(H,132,154)(H,133,156)(H,134,163)(H,144,145)(H,146,147)(H4,107,108,112)(H4,109,110,113)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C)C(C)C

InChIKey: XPZWWTIIKSODDO-MBNDGZRNSA-N

InChI: InChI=1S/C80H138N26O24S2/c1-38(2)28-53(72(122)90-36-61(113)114)98-60(112)33-86-57(109)32-89-78(128)62(39(3)4)105-79(129)63(40(5)6)104-70(120)44(10)93-59(111)35-87-65(115)41(7)94-68(118)45(11)96-69(119)46(12)95-67(117)43(9)92-58(110)34-88-66(116)42(8)97-73(123)51(22-26-131-14)100-76(126)54(29-48-31-85-37-91-48)102-74(124)50(21-17-19-25-82)99-75(125)52(23-27-132-15)101-77(127)55(30-56(84)108)103-80(130)64(47(13)107)106-71(121)49(83)20-16-18-24-81/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,115)(H,88,116)(H,89,128)(H,90,122)(H,92,110)(H,93,111)(H,94,118)(H,95,117)(H,96,119)(H,97,123)(H,98,112)(H,99,125)(H,100,126)(H,101,127)(H,102,124)(H,103,130)(H,104,120)(H,105,129)(H,106,121)(H,113,114)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C

InChIKey: UQSHHVABFISEOB-GPBSWCBHSA-N

InChI: InChI=1S/C172H278N52O51S2/c1-78(2)56-105(196-124(237)70-188-138(243)86(17)193-148(253)106(57-79(3)4)203-146(251)102(44-35-53-185-171(180)181)198-151(256)109(62-97-67-184-77-191-97)209-168(273)136(93(24)231)223-165(270)131(84(13)14)217-160(265)118(76-277)214-169(274)134(91(22)229)220-141(246)89(20)195-166(271)133(90(21)228)221-156(261)113(66-127(240)241)208-159(264)117(75-276)213-140(245)87(18)192-142(247)99(175)59-96-47-49-98(232)50-48-96)149(254)204-107(58-80(5)6)150(255)212-116(74-227)158(263)200-103(45-36-54-186-172(182)183)147(252)211-114(72-225)143(248)189-68-123(236)187-69-126(239)215-129(82(9)10)164(269)218-130(83(11)12)163(268)201-101(43-32-34-52-174)145(250)206-110(63-120(176)233)153(258)207-111(64-121(177)234)152(257)205-108(61-95-40-29-26-30-41-95)154(259)219-132(85(15)16)170(275)224-55-37-46-119(224)161(266)222-135(92(23)230)167(272)210-112(65-122(178)235)155(260)216-128(81(7)8)162(267)190-71-125(238)197-115(73-226)157(262)199-100(42-31-33-51-173)144(249)194-88(19)139(244)202-104(137(179)242)60-94-38-27-25-28-39-94/h25-30,38-41,47-50,67,77-93,99-119,128-136,225-232,276-277H,31-37,42-46,51-66,68-76,173-175H2,1-24H3,(H2,176,233)(H2,177,234)(H2,178,235)(H2,179,242)(H,184,191)(H,187,236)(H,188,243)(H,189,248)(H,190,267)(H,192,247)(H,193,253)(H,194,249)(H,195,271)(H,196,237)(H,197,238)(H,198,256)(H,199,262)(H,200,263)(H,201,268)(H,202,244)(H,203,251)(H,204,254)(H,205,257)(H,206,250)(H,207,258)(H,208,264)(H,209,273)(H,210,272)(H,211,252)(H,212,255)(H,213,245)(H,214,274)(H,215,239)(H,216,260)(H,217,265)(H,218,269)(H,219,259)(H,220,246)(H,221,261)(H,222,266)(H,223,270)(H,240,241)(H4,180,181,185)(H4,182,183,186)/t86-,87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1