(2S)-2-azanyl-3-[4-(2-oxidanylidenepropanoylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(2-oxidanylidenepropanoylamino)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(2-oxopropanoylamino)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(1,2-dioxopropylamino)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(2-oxopropanoylamino)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-(4-pyruvamidophenyl)propionic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)NC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)C(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H14N2O4/c1-7(15)11(16)14-9-4-2-8(3-5-9)6-10(13)12(17)18/h2-5,10H,6,13H2,1H3,(H,14,16)(H,17,18)/t10-/m0/s1