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

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-[2-(1-cyclohexenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-butyrate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CCCCC2

InChI

InChI=1S/C20H27N3O4/c1-14(24)22-16-7-9-17(10-8-16)23-19(25)13-18(20(26)27)21-12-11-15-5-3-2-4-6-15/h5,7-10,18,21H,2-4,6,11-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m1/s1