(2S,3R)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2S,3R)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2S,3R)-4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxo-butanoate CAS Name: (2S,3R)-4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoate IUPAC Name: (2S,3R)-4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoate Traditional Name: (2S,3R)-4-anilino-3-(3,5-dimethylbenzyl)-4-keto-2-methyl-butyrate Formula: C20H22NO3- MolecularWeight: 324.39358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C(C)C(=O)[O-])C(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[C@H]([C@H](C)C(=O)[O-])C(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3/c1-13-9-14(2)11-16(10-13)12-18(15(3)20(23)24)19(22)21-17-7-5-4-6-8-17/h4-11,15,18H,12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t15-,18+/m0/s1