methyl 2-[[2-[(4-hexylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-[(4-hexylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[(4-hexylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[(4-hexylcyclohexyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-hexylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(4-hexylcyclohexanecarbonyl)amino]-4-(methylthio)butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C24H44N2O4S MolecularWeight: 456.68216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C24H44N2O4S/c1-6-7-8-9-10-18-11-13-19(14-12-18)22(27)25-20(15-16-31-5)23(28)26-21(17(2)3)24(29)30-4/h17-21H,6-16H2,1-5H3,(H,25,27)(H,26,28)