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

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-10(20)17-11-3-5-12(6-4-11)18-14(21)9-13(15(22)23)16-7-2-8-19/h3-6,13,16,19H,2,7-9H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t13-/m1/s1