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

Systemtic Name: (2S)-2-azanyl-3-[4-(2-oxidanylidenepropylamino)phenyl]propanoic acid Openeye Name: (2S)-3-[4-(acetonylamino)phenyl]-2-amino-propanoic acid CAS Name: (2S)-2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(acetonylamino)phenyl]-2-amino-propionic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)CNC1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H16N2O3/c1-8(15)7-14-10-4-2-9(3-5-10)6-11(13)12(16)17/h2-5,11,14H,6-7,13H2,1H3,(H,16,17)/t11-/m0/s1