Cwvrlgrkllrrlktpft

Structural Information

Molecular Formula

C₁₀₃H₁₇₅N₃₃O₂₁S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C(CS)N)O

InChI

InChI=1S/C103H175N33O21S/c1-54(2)45-72(128-89(146)71(36-25-43-118-103(113)114)126-97(154)80(58(9)10)133-95(152)77(127-83(140)64(106)53-158)50-62-51-119-65-30-17-16-29-63(62)65)84(141)120-52-79(139)121-66(33-22-40-115-100(107)108)85(142)122-67(31-18-20-38-104)87(144)130-75(48-57(7)8)93(150)131-74(47-56(5)6)92(149)125-69(34-23-41-116-101(109)110)86(143)123-70(35-24-42-117-102(111)112)88(145)129-73(46-55(3)4)91(148)124-68(32-19-21-39-105)90(147)134-81(59(11)137)98(155)136-44-26-37-78(136)96(153)132-76(49-61-27-14-13-15-28-61)94(151)135-82(60(12)138)99(156)157/h13-17,27-30,51,54-60,64,66-78,80-82,119,137-138,158H,18-26,31-50,52-53,104-106H2,1-12H3,(H,120,141)(H,121,139)(H,122,142)(H,123,143)(H,124,148)(H,125,149)(H,126,154)(H,127,140)(H,128,146)(H,129,145)(H,130,144)(H,131,150)(H,132,153)(H,133,152)(H,134,147)(H,135,151)(H,156,157)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)(H4,113,114,118)/t59-,60-,64?,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+/m1/s1

InChIKey

HFUOMNFSHVMTSE-MEJWHXTESA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71597025