ethyl (2R)-2-[2-[3-(phenylcarbonyl)phenyl]propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-[3-(phenylcarbonyl)phenyl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(3-benzoylphenyl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(3-benzoylphenyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(3-benzoylphenyl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(3-benzoylphenyl)propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-3-26-21(25)18(13-27)22-20(24)14(2)16-10-7-11-17(12-16)19(23)15-8-5-4-6-9-15/h4-12,14,18,27H,3,13H2,1-2H3,(H,22,24)/t14?,18-/m0/s1