(2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-keto-4-(m-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=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2CCCO2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H]2CCCO2

InChI

InChI=1S/C16H22N2O4/c1-11-4-2-5-12(8-11)18-15(19)9-14(16(20)21)17-10-13-6-3-7-22-13/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3,(H,18,19)(H,20,21)/t13-,14-/m1/s1