| PDB CCD ID: | E12 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C30 H46 N4 O2 |
| InChI: | InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1 |
| InChIKey: | VFFGYPZORQBRNM-UIOOFZCWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCCCN[CH]3CCCC4=C3C=CC(=O)N4 | | ACDLabs 10.04 | O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4 | | CACTVS 3.341 | O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 | | OpenEye OEToolkits 1.5.0 | C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4 | | OpenEye OEToolkits 1.5.0 | C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 |
|
| Name: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE |
| ChEMBL: | CHEMBL519154 |
| ZINC: | ZINC000003870445 |
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