(phenylmethyl) 3-ethanoylsulfanyl-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: (phenylmethyl) 3-ethanoylsulfanyl-2-(3-phenylpropanoylamino)propanoate Openeye Name: benzyl 3-acetylsulfanyl-2-(3-phenylpropanoylamino)propanoate CAS Name: 3-(acetylthio)-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-acetylsulfanyl-2-(3-phenylpropanoylamino)propanoate Traditional Name: 3-(acetylthio)-2-(hydrocinnamoylamino)propionic acid benzyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)OCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(C(=O)OCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-16(23)27-15-19(21(25)26-14-18-10-6-3-7-11-18)22-20(24)13-12-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,22,24)