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

Systemtic Name: (2S)-2-azanyl-3-[4-(2-oxidanylidenepropanoyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(2-oxopropanoyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(1,2-dioxopropyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(2-oxopropanoyl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-(4-pyruvoylphenyl)propionic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-7(14)11(15)9-4-2-8(3-5-9)6-10(13)12(16)17/h2-5,10H,6,13H2,1H3,(H,16,17)/t10-/m0/s1