(2R)-4-oxidanylidene-4-phenylazanyl-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-phenylazanyl-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-anilino-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-anilino-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-anilino-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-anilino-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(CC(=O)NC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)OCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C16H24N2O4/c1-12(2)22-10-6-9-17-14(16(20)21)11-15(19)18-13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1