(2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-[2-(cyclohexen-1-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-anilino-2-[2-(1-cyclohexenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-anilino-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-butyrate Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H24N2O3/c21-17(20-15-9-5-2-6-10-15)13-16(18(22)23)19-12-11-14-7-3-1-4-8-14/h2,5-7,9-10,16,19H,1,3-4,8,11-13H2,(H,20,21)(H,22,23)/t16-/m1/s1