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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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