2-azanyl-3-[4-oxidanyl-2-(2-oxidanylidenepropanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-oxidanyl-2-(2-oxidanylidenepropanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-(2-oxopropanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(1,2-dioxopropyl)-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-(2-oxopropanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-2-pyruvoyl-phenyl)propionic acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-6(14)11(16)9-5-8(15)3-2-7(9)4-10(13)12(17)18/h2-3,5,10,15H,4,13H2,1H3,(H,17,18)