[(2R,3R,4S,5S,6R)-2-[2-[[2,4-bis(ethenyl)cyclopentyl]carbonylamino]ethoxy]-3,5-bis(oxidanyl)-6-(sulfonatooxymethyl)oxan-4-yl] sulfate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[2-[[2,4-bis(ethenyl)cyclopentyl]carbonylamino]ethoxy]-3,5-bis(oxidanyl)-6-(sulfonatooxymethyl)oxan-4-yl] sulfate Openeye Name: [(2R,3R,4S,5S,6R)-2-[2-[(2,4-divinylcyclopentanecarbonyl)amino]ethoxy]-3,5-dihydroxy-6-(sulfonatooxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: [(2R,3R,4S,5S,6R)-2-[2-[[[2,4-bis(ethenyl)cyclopentyl]-oxomethyl]amino]ethoxy]-3,5-dihydroxy-6-(sulfonatooxymethyl)-4-oxanyl] sulfate IUPAC Name: [(2R,3R,4S,5S,6R)-2-[2-[[2,4-bis(ethenyl)cyclopentanecarbonyl]amino]ethoxy]-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate Traditional Name: [(2R,3R,4S,5S,6R)-2-[2-[(2,4-divinylcyclopentanecarbonyl)amino]ethoxy]-3,5-dihydroxy-6-(sulfatomethyl)tetrahydropyran-4-yl] sulfate Formula: C18H27NO13S2-2 MolecularWeight: 529.53588

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC(C(C1)C(=O)NCCOC2C(C(C(C(O2)COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)C=C

Isomeric SMILES

C=CC1CC(C(C1)C(=O)NCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)C=C

InChI

InChI=1S/C18H29NO13S2/c1-3-10-7-11(4-2)12(8-10)17(22)19-5-6-29-18-15(21)16(32-34(26,27)28)14(20)13(31-18)9-30-33(23,24)25/h3-4,10-16,18,20-21H,1-2,5-9H2,(H,19,22)(H,23,24,25)(H,26,27,28)/p-2/t10?,11?,12?,13-,14+,15-,16+,18-/m1/s1