| PDB CCD ID: | RJC |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C32 H49 F N2 O5 S |
| InChI: | InChI=1S/C32H49FN2O5S/c1-5-21-27-28(33)25(36)14-17-32(27,4)24-13-16-31(3)22(11-12-23(31)26(24)29(21)37)19(2)15-18-34-30(38)35-41(39,40)20-9-7-6-8-10-20/h6-10,19,21-29,36-37H,5,11-18H2,1-4H3,(H2,34,35,38)/t19-,21-,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-/m1/s1 |
| InChIKey: | QVNPKOJFMSHZPJ-PTJGPXMYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC1C2C(C(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCNC(=O)NS(=O)(=O)c5ccccc5)C)C)O)F | | CACTVS 3.385 | CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCNC(=O)N[S](=O)(=O)c4ccccc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15 | | OpenEye OEToolkits 2.0.7 | CC[C@@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCNC(=O)NS(=O)(=O)c5ccccc5)C)C)O)F | | CACTVS 3.385 | CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)N[S](=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]5(C)CC[C@@H](O)[C@H](F)[C@@H]15 |
|
| Name: | 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea |
