| PDB CCD ID: | VS9 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H25 N O3 S |
| InChI: | InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1 |
| InChIKey: | HNLBHJBMLWFWSC-BDXSIMOUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@@]12CCC[C@H]1[C@@H]3CCc4cc(ccc4[C@H]3CC2)OS(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | CC12CCCC1C3CCc4cc(ccc4C3CC2)OS(=O)(=O)N | | CACTVS 3.385 | C[C]12CCC[CH]1[CH]3CCc4cc(O[S](N)(=O)=O)ccc4[CH]3CC2 | | CACTVS 3.385 | C[C@@]12CCC[C@H]1[C@@H]3CCc4cc(O[S](N)(=O)=O)ccc4[C@H]3CC2 |
|
| Name: | [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
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