[2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-30-14-12-19(25-21(27)17-9-5-6-10-18(17)23)22(28)29-15-20(26)24-13-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1