(2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-4-keto-2-(propylammonio)butyrate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-3-8-16-13(15(21)22)9-14(20)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,13,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1