Kwldafykdvakelekaf

Structural Information

Molecular Formula

C₁₀₆H₁₅₇N₂₃O₂₈

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C106H157N23O28/c1-57(2)48-76(99(149)120-74(40-42-84(131)132)96(146)117-71(33-19-23-45-108)93(143)113-61(8)91(141)128-83(106(156)157)52-64-28-14-11-15-29-64)123-97(147)75(41-43-85(133)134)119-94(144)72(34-20-24-46-109)116-89(139)62(9)115-105(155)88(59(5)6)129-104(154)82(55-87(137)138)126-95(145)73(35-21-25-47-110)118-101(151)79(51-65-36-38-67(130)39-37-65)125-102(152)78(50-63-26-12-10-13-27-63)121-90(140)60(7)114-98(148)81(54-86(135)136)127-100(150)77(49-58(3)4)124-103(153)80(122-92(142)69(111)31-18-22-44-107)53-66-56-112-70-32-17-16-30-68(66)70/h10-17,26-30,32,36-39,56-62,69,71-83,88,112,130H,18-25,31,33-35,40-55,107-111H2,1-9H3,(H,113,143)(H,114,148)(H,115,155)(H,116,139)(H,117,146)(H,118,151)(H,119,144)(H,120,149)(H,121,140)(H,122,142)(H,123,147)(H,124,153)(H,125,152)(H,126,145)(H,127,150)(H,128,141)(H,129,154)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,156,157)/t60-,61-,62-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1

InChIKey

RTEOACIBFSLCKZ-CTNRBZHLSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133896