Cwvrlgryklrrlktpft

Structural Information

Molecular Formula

C₁₀₆H₁₇₃N₃₃O₂₂S

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](CCCCN)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/C106H173N33O22S/c1-56(2)47-75(131-92(150)74(34-23-45-121-106(116)117)129-100(158)83(59(7)8)136-98(156)80(130-86(144)67(109)55-162)52-64-53-122-68-28-15-14-27-66(64)68)87(145)123-54-82(143)124-69(31-20-42-118-103(110)111)88(146)134-78(51-63-36-38-65(142)39-37-63)96(154)126-70(29-16-18-40-107)90(148)132-77(49-58(5)6)95(153)128-72(32-21-43-119-104(112)113)89(147)125-73(33-22-44-120-105(114)115)91(149)133-76(48-57(3)4)94(152)127-71(30-17-19-41-108)93(151)137-84(60(9)140)101(159)139-46-24-35-81(139)99(157)135-79(50-62-25-12-11-13-26-62)97(155)138-85(61(10)141)102(160)161/h11-15,25-28,36-39,53,56-61,67,69-81,83-85,122,140-142,162H,16-24,29-35,40-52,54-55,107-109H2,1-10H3,(H,123,145)(H,124,143)(H,125,147)(H,126,154)(H,127,152)(H,128,153)(H,129,158)(H,130,144)(H,131,150)(H,132,148)(H,133,149)(H,134,146)(H,135,157)(H,136,156)(H,137,151)(H,138,155)(H,160,161)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t60-,61-,67+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,83+,84+,85+/m1/s1

InChIKey

YWZUGAKJRPKODR-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)-6-amino-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]hexanoyl]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 71597135