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

Systemtic Name: (2S)-2-azanyl-3-[4-(3-oxidanylidenepentanoyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(3-oxopentanoyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(1,3-dioxopentyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(3-oxopentanoyl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(3-ketopentanoyl)phenyl]propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-2-11(16)8-13(17)10-5-3-9(4-6-10)7-12(15)14(18)19/h3-6,12H,2,7-8,15H2,1H3,(H,18,19)/t12-/m0/s1