(2S)-4-[(4-acetamidophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(4-acetamidophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-acetamidoanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-acetamidoanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-(4-acetamidoanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-acetamidoanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-3-4-5-6-11-19-16(18(24)25)12-17(23)21-15-9-7-14(8-10-15)20-13(2)22/h7-10,16,19H,3-6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1