4-[4-methylpentanoyl-[(4-oxidanyl-4-oxidanylidene-2-pyrrol-1-yl-butanoyl)amino]amino]benzoic acid

Systemtic Name: 4-[4-methylpentanoyl-[(4-oxidanyl-4-oxidanylidene-2-pyrrol-1-yl-butanoyl)amino]amino]benzoic acid Openeye Name: 4-[[(4-hydroxy-4-oxo-2-pyrrol-1-yl-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid CAS Name: 4-[[[4-hydroxy-1,4-dioxo-2-(1-pyrrolyl)butyl]amino]-(4-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-[[(4-hydroxy-4-oxo-2-pyrrol-1-ylbutanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Traditional Name: 4-[[(4-hydroxy-4-keto-2-pyrrol-1-yl-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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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)O)N2C=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)O)N2C=CC=C2

InChI

InChI=1S/C21H25N3O6/c1-14(2)5-10-18(25)24(16-8-6-15(7-9-16)21(29)30)22-20(28)17(13-19(26)27)23-11-3-4-12-23/h3-4,6-9,11-12,14,17H,5,10,13H2,1-2H3,(H,22,28)(H,26,27)(H,29,30)