[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C22H25NO4S/c1-16-8-10-19(11-9-16)28-13-12-22(26)27-15-21(25)23-20(17(2)24)14-18-6-4-3-5-7-18/h3-11,20H,12-15H2,1-2H3,(H,23,25)/t20-/m1/s1