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

Systemtic Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-acetamidoethylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-acetamidoethylammonio)-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-acetamidoethylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]C(CC(=O)NC1=CC=CC=C1OC)C(=O)[O-]

Isomeric SMILES

CC(=O)NCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1OC)C(=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-10(19)16-7-8-17-12(15(21)22)9-14(20)18-11-5-3-4-6-13(11)23-2/h3-6,12,17H,7-9H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/t12-/m1/s1