2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-(2-azanyl-4-methyl-pentanoyl)-3-phenylmethoxycarbonyl-butanedioic acid

Systemtic Name: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-(2-azanyl-4-methyl-pentanoyl)-3-phenylmethoxycarbonyl-butanedioic acid Openeye Name: 2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)-[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-(2-amino-4-methyl-pentanoyl)-3-benzyloxycarbonyl-butanedioic acid CAS Name: 2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-2-(2-amino-4-methyl-1-oxopentyl)-3-phenylmethoxycarbonylbutanedioic acid IUPAC Name: 2-[(2-amino-5-hydroxy-5-oxopentanoyl)-[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-(2-amino-4-methylpentanoyl)-3-phenylmethoxycarbonylbutanedioic acid Traditional Name: 2-[(2-amino-5-hydroxy-5-keto-pentanoyl)-[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-(2-amino-4-methyl-pentanoyl)-3-carbobenzoxy-succinic acid Formula: C29H38N6O11 MolecularWeight: 646.64562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N(C(=O)C(CCC(=O)O)N)C(=O)C(CC2=CN=CN2)N)N

Isomeric SMILES

CC(C)CC(C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N(C(=O)C(CCC(=O)O)N)C(=O)C(CC2=CN=CN2)N)N

InChI

InChI=1S/C29H38N6O11/c1-15(2)10-19(31)23(38)29(28(44)45,22(26(41)42)27(43)46-13-16-6-4-3-5-7-16)35(24(39)18(30)8-9-21(36)37)25(40)20(32)11-17-12-33-14-34-17/h3-7,12,14-15,18-20,22H,8-11,13,30-32H2,1-2H3,(H,33,34)(H,36,37)(H,41,42)(H,44,45)