(2S,3R)-4-(4-methoxyphenyl)-3-methyl-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S,3R)-4-(4-methoxyphenyl)-3-methyl-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S,3R)-2-(benzylamino)-4-(4-methoxyphenyl)-3-methyl-4-oxo-butanoic acid CAS Name: (2S,3R)-4-(4-methoxyphenyl)-3-methyl-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S,3R)-2-(benzylamino)-4-(4-methoxyphenyl)-3-methyl-4-oxobutanoic acid Traditional Name: (2S,3R)-2-(benzylamino)-4-keto-4-(4-methoxyphenyl)-3-methyl-butyric acid Formula: C19H21NO4 MolecularWeight: 327.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H21NO4/c1-13(18(21)15-8-10-16(24-2)11-9-15)17(19(22)23)20-12-14-6-4-3-5-7-14/h3-11,13,17,20H,12H2,1-2H3,(H,22,23)/t13-,17+/m1/s1