(2S)-2-[[2-[[1-[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]piperidin-4-yl]carbonylamino]-2-methyl-propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[2-[[1-[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]piperidin-4-yl]carbonylamino]-2-methyl-propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[1-[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]piperidine-4-carbonyl]amino]-2-methyl-propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[[1-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-4-piperidinyl]-oxomethyl]amino]-2-methyl-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[1-[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]piperidine-4-carbonyl]amino]-2-methylpropanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[1-[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]isonipecotoyl]amino]-2-methyl-propanoyl]amino]glutaric acid Formula: C29H38N6O9 MolecularWeight: 614.64682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCN(CC1)C(=O)C(CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H38N6O9/c1-29(2,27(42)32-21(26(40)41)8-9-23(36)37)34-24(38)19-10-12-35(13-11-19)25(39)22(14-20-15-30-17-31-20)33-28(43)44-16-18-6-4-3-5-7-18/h3-7,15,17,19,21-22H,8-14,16H2,1-2H3,(H,30,31)(H,32,42)(H,33,43)(H,34,38)(H,36,37)(H,40,41)/t21-,22-/m0/s1