| SpectraBase Spectrum ID |
1iqnR5R7dQ |
| Name |
(1S,2R,4S,1'S,2'R,4'S)-N-{3-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide |
| Alternate Name(s) |
[(1S,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]-N-(3-{[({[(1S,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)amino]methyl}benzyl)methanesulfonamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44N2O6S2 |
| InChI |
InChI=1S/C28H44N2O6S2/c1-25(2)21-8-10-27(25,23(31)13-21)17-37(33,34)29-15-19-6-5-7-20(12-19)16-30-38(35,36)18-28-11-9-22(14-24(28)32)26(28,3)4/h5-7,12,21-24,29-32H,8-11,13-18H2,1-4H3/t21-,22-,23+,24+,27-,28+/m0/s1 |
| InChIKey |
PLTKBGLXMWKVOG-VMYSROORSA-N |
| Molecular Weight |
568.788 g/mol |
| SMILES |
O[C@@]1(C[C@]2(C([C@@]1(CS(NCc1cc(CNS(C[C@]34[C@@](C[C@](C4(C)C)([H])CC3)(O)[H])(=O)=O)ccc1)(=O)=O)CC2)(C)C)[H])[H] |
| SPLASH |
splash10-00kr-2901000000-2cf3d8e344b69fb918ca |
| Source of Spectrum |
KD-14-1111-9 |
| Wiley ID |
1636013 |
![(1S,2R,4S,1'S,2'R,4'S)-N-{3-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide](/api/spectrum/1iqnR5R7dQ/structure.png?h=300&w=458 "(1S,2R,4S,1'S,2'R,4'S)-N-{3-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide")
