| PDB CCD ID: | F2G |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C21 H45 N3 O7 |
| InChI: | InChI=1S/C21H45N3O7/c1-12(2)18(24-21(30)31-11-15-8-6-5-7-9-15)20(29)22-13(3)19(28)23-16(14(4)25)10-17(26)27/h12-30H,5-11H2,1-4H3/t13-,14-,16-,18-,19-,20+,21?/m0/s1 |
| InChIKey: | BUMYZNBKAXTDQY-XJSQVEEBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1 | | CACTVS 3.341 | CC(C)[C@H](N[C@@H](O)OCC1CCCCC1)[C@@H](O)N[C@@H](C)[C@H](O)N[C@@H](CC(O)O)[C@H](C)O | | OpenEye OEToolkits 1.5.0 | CC(C)C(C(NC(C)C(NC(CC(O)O)C(C)O)O)O)NC(O)OCC1CCCCC1 | | CACTVS 3.341 | CC(C)[CH](N[CH](O)OCC1CCCCC1)[CH](O)N[CH](C)[CH](O)N[CH](CC(O)O)[CH](C)O | | ACDLabs 10.04 | O(C(O)NC(C(C)C)C(O)NC(C)C(O)NC(CC(O)O)C(O)C)CC1CCCCC1 |
|
| Name: | 3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL |
