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

Systemtic Name: (2R)-2-[2-[(3-methylphenyl)amino]ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-[2-(3-methylanilino)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-anilino-2-[2-(3-methylanilino)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-[2-(3-methylanilino)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-anilino-4-keto-2-[2-(m-toluidino)ethylammonio]butyrate Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NCC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H23N3O3/c1-14-6-5-9-16(12-14)20-10-11-21-17(19(24)25)13-18(23)22-15-7-3-2-4-8-15/h2-9,12,17,20-21H,10-11,13H2,1H3,(H,22,23)(H,24,25)/t17-/m1/s1