2-[2-(2-phenylethanoylamino)propanoylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(2-phenylethanoylamino)propanoylsulfanyl]ethanoic acid Openeye Name: 2-[2-[(2-phenylacetyl)amino]propanoylsulfanyl]acetic acid CAS Name: 2-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]thio]acetic acid IUPAC Name: 2-[2-[(2-phenylacetyl)amino]propanoylsulfanyl]acetic acid Traditional Name: 2-[2-[(2-phenylacetyl)amino]propanoylthio]acetic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCC(=O)O)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)SCC(=O)O)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H15NO4S/c1-9(13(18)19-8-12(16)17)14-11(15)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)(H,16,17)