(2R)-4-[(2-methylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(2-methylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(2-methylanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(2-methylanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(2-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-keto-4-(o-toluidino)-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2CCCO2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H]2CCCO2

InChI

InChI=1S/C16H22N2O4/c1-11-5-2-3-7-13(11)18-15(19)9-14(16(20)21)17-10-12-6-4-8-22-12/h2-3,5,7,12,14,17H,4,6,8-10H2,1H3,(H,18,19)(H,20,21)/t12-,14-/m1/s1