Cwvrlgryalrrlktpft

Structural Information

Molecular Formula

C₁₀₃H₁₆₆N₃₂O₂₂S

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](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)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](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C103H166N32O22S/c1-53(2)44-72(128-89(146)71(32-22-42-117-103(112)113)125-97(154)80(56(7)8)132-95(152)77(127-84(141)65(105)52-158)49-62-50-118-66-27-16-15-26-64(62)66)85(142)119-51-79(139)121-67(29-19-39-114-100(106)107)86(143)130-75(48-61-34-36-63(138)37-35-61)91(148)120-57(9)83(140)126-73(45-54(3)4)92(149)124-69(30-20-40-115-101(108)109)87(144)122-70(31-21-41-116-102(110)111)88(145)129-74(46-55(5)6)93(150)123-68(28-17-18-38-104)90(147)133-81(58(10)136)98(155)135-43-23-33-78(135)96(153)131-76(47-60-24-13-12-14-25-60)94(151)134-82(59(11)137)99(156)157/h12-16,24-27,34-37,50,53-59,65,67-78,80-82,118,136-138,158H,17-23,28-33,38-49,51-52,104-105H2,1-11H3,(H,119,142)(H,120,148)(H,121,139)(H,122,144)(H,123,150)(H,124,149)(H,125,154)(H,126,140)(H,127,141)(H,128,146)(H,129,145)(H,130,143)(H,131,153)(H,132,152)(H,133,147)(H,134,151)(H,156,157)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t57-,58+,59+,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-/m0/s1

InChIKey

GSXCOTHPSYVMKX-GXUJYFMHSA-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)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-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]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]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 71597287