| PDB CCD ID: | WQU |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H32 N4 O7 |
| InChI: | InChI=1S/C24H32N4O7/c29-15-21-23(31)24(32)22(30)14-27(21)13-17-3-1-2-16(10-17)12-25-19-5-4-18(11-20(19)28(33)34)26-6-8-35-9-7-26/h1-5,10-11,21-25,29-32H,6-9,12-15H2/t21-,22+,23-,24-/m1/s1 |
| InChIKey: | PHNSFXOWQRZVGC-UEQSERJNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)CN2CC(C(C(C2CO)O)O)O)CNc3ccc(cc3[N+](=O)[O-])N4CCOCC4 | | ACDLabs 12.01 | OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1ccc(cc1[N+]([O-])=O)N1CCOCC1 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)CN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)CNc3ccc(cc3[N+](=O)[O-])N4CCOCC4 | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)CN1Cc2cccc(CNc3ccc(cc3[N+]([O-])=O)N4CCOCC4)c2 | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc2cccc(CNc3ccc(cc3[N+]([O-])=O)N4CCOCC4)c2 |
|
| Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
