Gfmkyigpliphavkaisdli-nh2

Structural Information

Molecular Formula

C₁₀₉H₁₇₆N₂₆O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CN

InChI

InChI=1S/C109H176N26O25S/c1-18-61(11)87(91(113)142)130-100(151)74(47-58(5)6)123-99(150)79(52-85(140)141)125-103(154)80(56-136)128-108(159)89(63(13)20-3)131-93(144)66(16)117-94(145)71(33-25-27-42-110)122-107(158)86(60(9)10)129-92(143)65(15)118-97(148)78(51-69-54-114-57-116-69)127-105(156)82-36-30-45-135(82)109(160)90(64(14)21-4)133-101(152)75(48-59(7)8)126-104(155)81-35-29-44-134(81)84(139)55-115-106(157)88(62(12)19-2)132-102(153)77(50-68-37-39-70(137)40-38-68)124-95(146)72(34-26-28-43-111)120-96(147)73(41-46-161-17)121-98(149)76(119-83(138)53-112)49-67-31-23-22-24-32-67/h22-24,31-32,37-40,54,57-66,71-82,86-90,136-137H,18-21,25-30,33-36,41-53,55-56,110-112H2,1-17H3,(H2,113,142)(H,114,116)(H,115,157)(H,117,145)(H,118,148)(H,119,138)(H,120,147)(H,121,149)(H,122,158)(H,123,150)(H,124,146)(H,125,154)(H,126,155)(H,127,156)(H,128,159)(H,129,143)(H,130,151)(H,131,144)(H,132,153)(H,133,152)(H,140,141)/t61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-,90-/m0/s1

InChIKey

FGVQZVIQDFXCNL-KHGHMRPCSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16130865