ethyl 4-[[2-[(4-heptylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-heptylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-heptylcyclohexyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C28H44N2O4S MolecularWeight: 504.72496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C28H44N2O4S/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)26(31)30-25(19-20-35-3)27(32)29-24-17-15-23(16-18-24)28(33)34-5-2/h15-18,21-22,25H,4-14,19-20H2,1-3H3,(H,29,32)(H,30,31)