(2R)-2-(2-acetamidoethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-acetamidoethylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-acetamidoethylammonio)-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-acetamidoethylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCNC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCNC(=O)C

InChI

InChI=1S/C15H21N3O4/c1-10-4-3-5-12(8-10)18-14(20)9-13(15(21)22)17-7-6-16-11(2)19/h3-5,8,13,17H,6-7,9H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/t13-/m1/s1