[(1S,2R,4R,5R)-2-acetyloxy-4-[[(1R,2R,4S,5R)-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]disulfanyl]-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,4R,5R)-2-acetyloxy-4-[[(1R,2R,4S,5R)-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]disulfanyl]-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ethanoate Openeye Name: [(1S,2R,4R,5R)-2-acetoxy-4-[[(1R,2R,4S,5R)-4,5-diacetoxy-2-(p-tolylsulfonylamino)cyclohexyl]disulfanyl]-5-(p-tolylsulfonylamino)cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,4R,5R)-2-acetyloxy-4-[[(1R,2R,4S,5R)-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]disulfanyl]-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ester IUPAC Name: [(1S,2R,4R,5R)-2-acetyloxy-4-[[(1R,2R,4S,5R)-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]disulfanyl]-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,4R,5R)-2-acetoxy-4-[[(1R,2R,4S,5R)-4,5-diacetoxy-2-(tosylamino)cyclohexyl]disulfanyl]-5-(tosylamino)cyclohexyl] ester Formula: C34H44N2O12S4 MolecularWeight: 800.97936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(C(CC2SSC3CC(C(CC3NS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H]([C@@H](C[C@H]2SS[C@@H]3C[C@H]([C@H](C[C@H]3NS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H44N2O12S4/c1-19-7-11-25(12-8-19)51(41,42)35-27-15-29(45-21(3)37)31(47-23(5)39)17-33(27)49-50-34-18-32(48-24(6)40)30(46-22(4)38)16-28(34)36-52(43,44)26-13-9-20(2)10-14-26/h7-14,27-36H,15-18H2,1-6H3/t27-,28-,29+,30+,31-,32-,33-,34-/m1/s1