(2R)-4-[(4-acetamidophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-11(20)18-12-4-6-13(7-5-12)19-15(21)10-14(16(22)23)17-8-3-9-24-2/h4-7,14,17H,3,8-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1