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

Systemtic Name: (2R)-2-(cyclopentylazaniumyl)-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclopentylammonio)-4-(4-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(cyclopentylammonio)-4-(4-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclopentylazaniumyl)-4-(4-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(cyclopentylammonio)-4-keto-4-(p-toluidino)butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]C2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C2CCCC2

InChI

InChI=1S/C16H22N2O3/c1-11-6-8-13(9-7-11)18-15(19)10-14(16(20)21)17-12-4-2-3-5-12/h6-9,12,14,17H,2-5,10H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1