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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4S/c1-12(2)10-20-16(22)11-25-18(24)15(8-9-26-3)21-17(23)13-4-6-14(19)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,22)(H,21,23)/t15-/m0/s1