[4-methylsulfonyloxy-1,6-diphenyl-2,5-bis(phenylmethoxycarbonylamino)hexan-3-yl] methanesulfonate

Systemtic Name: [4-methylsulfonyloxy-1,6-diphenyl-2,5-bis(phenylmethoxycarbonylamino)hexan-3-yl] methanesulfonate Openeye Name: [3-(benzyloxycarbonylamino)-1-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-2-methylsulfonyloxy-4-phenyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [4-methylsulfonyloxy-1,6-diphenyl-2,5-bis(phenylmethoxycarbonylamino)hexan-3-yl] ester IUPAC Name: [4-methylsulfonyloxy-1,6-diphenyl-2,5-bis(phenylmethoxycarbonylamino)hexan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(benzyloxycarbonylamino)-1-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-2-methylsulfonyloxy-4-phenyl-butyl] ester Formula: C36H40N2O10S2 MolecularWeight: 724.8402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C36H40N2O10S2/c1-49(41,42)47-33(31(23-27-15-7-3-8-16-27)37-35(39)45-25-29-19-11-5-12-20-29)34(48-50(2,43)44)32(24-28-17-9-4-10-18-28)38-36(40)46-26-30-21-13-6-14-22-30/h3-22,31-34H,23-26H2,1-2H3,(H,37,39)(H,38,40)