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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4S/c1-18(2,3)21-15(22)11-25-17(24)14(9-10-26-4)20-16(23)12-7-5-6-8-13(12)19/h5-8,14H,9-11H2,1-4H3,(H,20,23)(H,21,22)/t14-/m0/s1