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

Systemtic Name: (2S)-2-azanyl-3-[4-(2-oxidanylidenepropylcarbamoyl)phenyl]propanoic acid Openeye Name: (2S)-3-[4-(acetonylcarbamoyl)phenyl]-2-amino-propanoic acid CAS Name: (2S)-2-amino-3-[4-[oxo-(2-oxopropylamino)methyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(2-oxopropylcarbamoyl)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(acetonylcarbamoyl)phenyl]-2-amino-propionic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-8(16)7-15-12(17)10-4-2-9(3-5-10)6-11(14)13(18)19/h2-5,11H,6-7,14H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1