[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2R)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H27ClN2O4S/c1-28-12-11-17(23-19(25)15-9-5-6-10-16(15)21)20(26)27-13-18(24)22-14-7-3-2-4-8-14/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1