(2R)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(3,5-dimethylanilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3,5-dimethylanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(3,5-dimethylanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(3,5-dimethylanilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-12(2)24-7-5-6-19-16(18(22)23)11-17(21)20-15-9-13(3)8-14(4)10-15/h8-10,12,16,19H,5-7,11H2,1-4H3,(H,20,21)(H,22,23)/t16-/m1/s1