Kwvrlgrkllrrlkkpft

Structural Information

Molecular Formula

C₁₀₈H₁₈₇N₃₅O₂₀

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)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@H](CCCCN)N)O

InChI

InChI=1S/C108H187N35O20/c1-60(2)52-78(136-95(153)76(41-28-50-125-108(120)121)133-102(160)86(64(9)10)141-100(158)83(135-88(146)69(113)33-17-21-43-109)57-67-58-126-70-34-16-15-32-68(67)70)89(147)127-59-85(145)128-71(38-25-47-122-105(114)115)90(148)129-73(36-19-23-45-111)93(151)138-81(55-63(7)8)98(156)139-80(54-62(5)6)97(155)132-74(39-26-48-123-106(116)117)91(149)130-75(40-27-49-124-107(118)119)94(152)137-79(53-61(3)4)96(154)131-72(35-18-22-44-110)92(150)134-77(37-20-24-46-112)103(161)143-51-29-42-84(143)101(159)140-82(56-66-30-13-12-14-31-66)99(157)142-87(65(11)144)104(162)163/h12-16,30-32,34,58,60-65,69,71-84,86-87,126,144H,17-29,33,35-57,59,109-113H2,1-11H3,(H,127,147)(H,128,145)(H,129,148)(H,130,149)(H,131,154)(H,132,155)(H,133,160)(H,134,150)(H,135,146)(H,136,153)(H,137,152)(H,138,151)(H,139,156)(H,140,159)(H,141,158)(H,142,157)(H,162,163)(H4,114,115,122)(H4,116,117,123)(H4,118,119,124)(H4,120,121,125)/t65-,69+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,86+,87+/m1/s1

InChIKey

OCQUUOQJPBZWEF-ZXUNYNSASA-N

Compound name

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

Related CIDs

• CID 71597773