[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H40N2O4S MolecularWeight: 476.6718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H40N2O4S/c1-17-8-7-9-21(18(17)2)27-23(29)16-32-25(31)22(14-15-33-6)28-24(30)19-10-12-20(13-11-19)26(3,4)5/h10-13,17-18,21-22H,7-9,14-16H2,1-6H3,(H,27,29)(H,28,30)