[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-5-14(3)20-17(22)12-25-19(24)16(9-10-26-4)21-18(23)15-8-6-7-13(2)11-15/h6-8,11,14,16H,5,9-10,12H2,1-4H3,(H,20,22)(H,21,23)