[1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfonyloxy-octan-2-yl] methanesulfonate

Systemtic Name: [1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfonyloxy-octan-2-yl] methanesulfonate Openeye Name: [7-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]-6-methylsulfonyloxy-heptyl] methanesulfonate CAS Name: methanesulfonic acid [1,8-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-methylsulfonyloxyoctan-2-yl] ester IUPAC Name: [1,8-bis[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfonyloxyoctan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [7-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]-6-methylsulfonyloxy-heptyl] ester Formula: C20H40N2O10S2 MolecularWeight: 532.669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CCCCC(CNC(=O)OC(C)(C)C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CCCCC(CNC(=O)OC(C)(C)C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C20H40N2O10S2/c1-19(2,3)29-17(23)21-13-15(31-33(7,25)26)11-9-10-12-16(32-34(8,27)28)14-22-18(24)30-20(4,5)6/h15-16H,9-14H2,1-8H3,(H,21,23)(H,22,24)