4-[[(2-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid

Systemtic Name: 4-[[(2-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Openeye Name: 4-[[(2-amino-4-benzyloxy-4-oxo-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid CAS Name: 4-[[(2-amino-1,4-dioxo-4-phenylmethoxybutyl)amino]-(4-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-[[(2-amino-4-oxo-4-phenylmethoxybutanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Traditional Name: 4-[[(2-amino-4-benzoxy-4-keto-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C24H29N3O6/c1-16(2)8-13-21(28)27(19-11-9-18(10-12-19)24(31)32)26-23(30)20(25)14-22(29)33-15-17-6-4-3-5-7-17/h3-7,9-12,16,20H,8,13-15,25H2,1-2H3,(H,26,30)(H,31,32)