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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C16H20ClN3O5S/c1-18-16(24)20-13(21)9-25-15(23)12(7-8-26-2)19-14(22)10-5-3-4-6-11(10)17/h3-6,12H,7-9H2,1-2H3,(H,19,22)(H2,18,20,21,24)/t12-/m0/s1