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

Systemtic Name: (2S)-2-azanyl-3-[4-(3-oxidanylidenebutyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(3-ketobutyl)phenyl]propionic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H17NO3/c1-9(15)2-3-10-4-6-11(7-5-10)8-12(14)13(16)17/h4-7,12H,2-3,8,14H2,1H3,(H,16,17)/t12-/m0/s1