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

Systemtic Name: ethyl 2-[[2-[(4-heptylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoyl]amino]acetate CAS Name: 2-[[2-[[(4-heptylcyclohexyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoyl]amino]acetate Traditional Name: 2-[[2-[(4-heptylcyclohexanecarbonyl)amino]-4-(methylthio)butanoyl]amino]acetic acid ethyl ester Formula: C23H42N2O4S MolecularWeight: 442.65558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCC(=O)OCC

InChI

InChI=1S/C23H42N2O4S/c1-4-6-7-8-9-10-18-11-13-19(14-12-18)22(27)25-20(15-16-30-3)23(28)24-17-21(26)29-5-2/h18-20H,4-17H2,1-3H3,(H,24,28)(H,25,27)