2-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]-3-phenylmethoxycarbonyl-butanedioic acid

Systemtic Name: 2-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]-3-phenylmethoxycarbonyl-butanedioic acid Openeye Name: 2-amino-2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]-3-benzyloxycarbonyl-butanedioic acid CAS Name: 2-amino-2-[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]-3-phenylmethoxycarbonylbutanedioic acid IUPAC Name: 2-amino-2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxybutanoyl]-3-phenylmethoxycarbonylbutanedioic acid Traditional Name: 2-amino-2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]-3-carbobenzoxy-succinic acid Formula: C27H38N4O12 MolecularWeight: 610.61022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N)N

InChI

InChI=1S/C27H38N4O12/c1-13(2)11-16(28)22(36)30-17(9-10-18(33)34)23(37)31-20(14(3)32)21(35)27(29,26(41)42)19(24(38)39)25(40)43-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,19-20,32H,9-12,28-29H2,1-3H3,(H,30,36)(H,31,37)(H,33,34)(H,38,39)(H,41,42)