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

Systemtic Name: (3S)-3-acetyloxy-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: (3S)-3-acetoxy-4-(benzylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-acetyloxy-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: (3S)-3-acetyloxy-4-(benzylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-acetoxy-4-(benzylamino)-4-keto-butyric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-9(15)19-11(7-12(16)17)13(18)14-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1