S-[7-ethanoylsulfanyl-1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl] ethanethioate

Systemtic Name: S-[7-ethanoylsulfanyl-1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl] ethanethioate Openeye Name: S-[6-acetylsulfanyl-7-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]heptyl] ethanethioate CAS Name: ethanethioic acid S-[7-(acetylthio)-1,8-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octan-2-yl] ester IUPAC Name: S-[7-acetylsulfanyl-1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[6-(acetylthio)-7-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]heptyl] ester Formula: C22H40N2O6S2 MolecularWeight: 492.6928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCC(CNC(=O)OC(C)(C)C)SC(=O)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC(CCCCC(CNC(=O)OC(C)(C)C)SC(=O)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H40N2O6S2/c1-15(25)31-17(13-23-19(27)29-21(3,4)5)11-9-10-12-18(32-16(2)26)14-24-20(28)30-22(6,7)8/h17-18H,9-14H2,1-8H3,(H,23,27)(H,24,28)