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3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylsulfanyl]propanoic acid

3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylsulfanyl]propanoic acid

Systemtic Name:3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylsulfanyl]propanoic acid
Openeye Name:3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylsulfanyl]propanoic acid
CAS Name:3-[2,3-bis[(11-cyclohexylundecylamino)-oxomethoxy]propylthio]propanoic acid
IUPAC Name:3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylsulfanyl]propanoic acid
Traditional Name:3-[2,3-bis(11-cyclohexylundecylcarbamoyloxy)propylthio]propionic acid
Formula: C42H78N2O6S
MolecularWeight: 739.14352
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCCCCNC(=O)OCC(CSCCC(=O)O)OC(=O)NCCCCCCCCCCCC2CCCCC2


Isomeric SMILES

C1CCC(CC1)CCCCCCCCCCCNC(=O)OCC(CSCCC(=O)O)OC(=O)NCCCCCCCCCCCC2CCCCC2


InChI

InChI=1S/C42H78N2O6S/c45-40(46)31-34-51-36-39(50-42(48)44-33-24-14-10-6-2-4-8-12-18-26-38-29-21-16-22-30-38)35-49-41(47)43-32-23-13-9-5-1-3-7-11-17-25-37-27-19-15-20-28-37/h37-39H,1-36H2,(H,43,47)(H,44,48)(H,45,46)


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