| PDB CCD ID: | VR3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H31 N O3 S |
| InChI: | InChI=1S/C19H31NO3S/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18/h5,14-17H,3-4,6-12H2,1-2H3,(H2,20,21,22)/t14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey: | YUEPLWPAJBAOGC-DYKIIFRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC2)C)OS(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | CC12CCCC1C3CC=C4CC(CCC4(C3CC2)C)OS(=O)(=O)N | | CACTVS 3.385 | C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2)O[S](N)(=O)=O | | CACTVS 3.385 | C[C]12CCC[CH]1[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC2)O[S](N)(=O)=O |
|
| Name: | [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate |
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