| PDB CCD ID: | 6PW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H33 N3 O3 |
| InChI: | InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 |
| InChIKey: | OLJFTJILJDDJGV-SLFFLAALSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O4CCC(NC(=O)C1C(C)(C)CN(CC1)c2ccc3c(n2)c(ccc3)C)CC4CO | | OpenEye OEToolkits 2.0.4 | Cc1cccc2c1nc(cc2)N3CCC(C(C3)(C)C)C(=O)NC4CCOC(C4)CO | | CACTVS 3.385 | Cc1cccc2ccc(nc12)N3CC[CH](C(=O)N[CH]4CCO[CH](CO)C4)C(C)(C)C3 | | OpenEye OEToolkits 2.0.4 | Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO | | CACTVS 3.385 | Cc1cccc2ccc(nc12)N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3 |
|
| Name: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol |
| ChEMBL: | CHEMBL3928608 |
| ZINC: | ZINC000584904758 |
