(3S)-3-oxidanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (3S)-3-oxidanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: (3S)-4-(benzylamino)-3-hydroxy-4-oxo-butanoic acid CAS Name: (3S)-3-hydroxy-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: (3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoic acid Traditional Name: (3S)-4-(benzylamino)-3-hydroxy-4-keto-butyric acid Formula: C11H13NO4 MolecularWeight: 223.22522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CC(=O)O)O

InChI

InChI=1S/C11H13NO4/c13-9(6-10(14)15)11(16)12-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1