[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@@H](CCSC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H27ClN2O4S/c1-4-15(5-2)21-17(23)12-26-19(25)16(10-11-27-3)22-18(24)13-6-8-14(20)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,24)/t16-/m1/s1