[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O4S/c1-13(2)8-10-21-17(23)12-26-19(25)16(9-11-27-3)22-18(24)14-4-6-15(20)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1