Cwvrlgryllrrlktpft

Structural Information

Molecular Formula

C₁₀₆H₁₇₂N₃₂O₂₂S

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](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/C106H172N32O22S/c1-55(2)45-74(129-91(148)73(33-23-43-120-106(115)116)127-100(157)83(59(9)10)135-98(155)80(128-86(143)67(108)54-161)51-64-52-121-68-28-17-16-27-66(64)68)87(144)122-53-82(142)123-69(30-20-40-117-103(109)110)88(145)133-78(50-63-35-37-65(141)38-36-63)96(153)132-77(48-58(7)8)95(152)131-76(47-57(5)6)94(151)126-71(31-21-41-118-104(111)112)89(146)124-72(32-22-42-119-105(113)114)90(147)130-75(46-56(3)4)93(150)125-70(29-18-19-39-107)92(149)136-84(60(11)139)101(158)138-44-24-34-81(138)99(156)134-79(49-62-25-14-13-15-26-62)97(154)137-85(61(12)140)102(159)160/h13-17,25-28,35-38,52,55-61,67,69-81,83-85,121,139-141,161H,18-24,29-34,39-51,53-54,107-108H2,1-12H3,(H,122,144)(H,123,142)(H,124,146)(H,125,150)(H,126,151)(H,127,157)(H,128,143)(H,129,148)(H,130,147)(H,131,152)(H,132,153)(H,133,145)(H,134,156)(H,135,155)(H,136,149)(H,137,154)(H,159,160)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t60-,61-,67+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,83+,84+,85+/m1/s1

InChIKey

IDFCWTYDCLTQQB-GHQVICSASA-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]-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 71597126