(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxo-3-phosphonooxypropyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]amino]-3-phosphonooxypropanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoyl]amino]-3-phosphonooxy-propanoyl]amino]acetyl]amino]glutaric acid Formula: C35H49N10O18P MolecularWeight: 928.793521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(COP(=O)(O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C35H49N10O18P/c1-16(41-32(55)20(36)9-18-11-37-21-6-4-3-5-19(18)21)30(53)39-12-25(46)38-13-26(47)44-23(10-29(51)52)34(57)42-17(2)31(54)45-24(15-63-64(60,61)62)33(56)40-14-27(48)43-22(35(58)59)7-8-28(49)50/h3-6,11,16-17,20,22-24,37H,7-10,12-15,36H2,1-2H3,(H,38,46)(H,39,53)(H,40,56)(H,41,55)(H,42,57)(H,43,48)(H,44,47)(H,45,54)(H,49,50)(H,51,52)(H,58,59)(H2,60,61,62)/t16-,17-,20-,22-,23-,24-/m0/s1