(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(2-cyanoanilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

Isomeric SMILES

CC(C)OCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-12(2)24-9-5-8-19-15(17(22)23)10-16(21)20-14-7-4-3-6-13(14)11-18/h3-4,6-7,12,15,19H,5,8-10H2,1-2H3,(H,20,21)(H,22,23)/t15-/m1/s1