Erylkdqqllgiwgcsgklicg

Structural Information

Molecular Formula

C₁₁₀H₁₇₆N₃₀O₃₁S₂

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCCCN)CO)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C110H176N30O31S2/c1-13-59(11)90(108(170)136-77(45-62-47-119-66-23-16-15-22-64(62)66)94(156)120-49-85(146)125-81-54-173-172-53-80(96(158)123-51-89(152)153)138-109(171)91(60(12)14-2)140-106(168)75(43-58(9)10)132-97(159)67(24-17-19-37-111)124-84(145)48-122-95(157)79(52-141)137-107(81)169)139-86(147)50-121-93(155)72(40-55(3)4)130-103(165)74(42-57(7)8)131-101(163)71(33-35-83(115)144)128-100(162)70(32-34-82(114)143)129-105(167)78(46-88(150)151)135-98(160)68(25-18-20-38-112)127-102(164)73(41-56(5)6)133-104(166)76(44-61-27-29-63(142)30-28-61)134-99(161)69(26-21-39-118-110(116)117)126-92(154)65(113)31-36-87(148)149/h15-16,22-23,27-30,47,55-60,65,67-81,90-91,119,141-142H,13-14,17-21,24-26,31-46,48-54,111-113H2,1-12H3,(H2,114,143)(H2,115,144)(H,120,156)(H,121,155)(H,122,157)(H,123,158)(H,124,145)(H,125,146)(H,126,154)(H,127,164)(H,128,162)(H,129,167)(H,130,165)(H,131,163)(H,132,159)(H,133,166)(H,134,161)(H,135,160)(H,136,170)(H,137,169)(H,138,171)(H,139,147)(H,140,168)(H,148,149)(H,150,151)(H,152,153)(H4,116,117,118)/t59-,60-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,90-,91-/m0/s1

InChIKey

IYJQLNACFJQFGG-ICPVQBNASA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(4R,7S,10S,13S,19S,22R)-13-(4-aminobutyl)-7-[(2S)-butan-2-yl]-4-(carboxymethylcarbamoyl)-19-(hydroxymethyl)-10-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130097