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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-11(15)12(16)9-5-3-8(4-6-9)7-10(14)13(17)18/h3-6,10H,2,7,14H2,1H3,(H,17,18)/t10-/m0/s1