| PDB CCD ID: | TL3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H22 N4 O4 |
| InChI: | InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 |
| InChIKey: | CDEVHSIVANGYRI-XMTFNYHQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC(=N)c1ccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4ccc(cc4)C(N)=N)cc1 | | ACDLabs 10.04 | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=N)N)OC2COC3C2OCC3Oc4ccc(cc4)C(=N)N | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N | | CACTVS 3.341 | NC(=N)c1ccc(O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)Oc4ccc(cc4)C(N)=N)cc1 |
|
| Name: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL;
2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL |
| DrugBank: | DB04792 |
| ZINC: | ZINC000012504513 |
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