tert-butyl 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[4-[2-[[(cyclohexylamino)-oxomethyl]-(4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]thio]-2-methyl-propionic acid tert-butyl ester Formula: C33H54N2O3S MolecularWeight: 558.85846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C33H54N2O3S/c1-32(2,3)38-30(36)33(4,5)39-29-21-19-27(20-22-29)23-25-35(31(37)34-28-17-10-7-11-18-28)24-13-12-16-26-14-8-6-9-15-26/h19-22,26,28H,6-18,23-25H2,1-5H3,(H,34,37)