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

Systemtic Name: (2S)-2-azanyl-3-[4-(3-oxidanylidenebutanoyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(1,3-dioxobutyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid Traditional Name: (2S)-3-(4-acetoacetylphenyl)-2-amino-propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-8(15)6-12(16)10-4-2-9(3-5-10)7-11(14)13(17)18/h2-5,11H,6-7,14H2,1H3,(H,17,18)/t11-/m0/s1