| PDB CCD ID: | TL1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H22 N4 O4 |
| InChI: | InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 |
| InChIKey: | IBIUTOFGXGGVKQ-XMTFNYHQSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O(c1cc(C(=[N@H])N)ccc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | CACTVS 3.341 | NC(=N)c1cccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4cccc(c4)C(N)=N)c1 | | CACTVS 3.341 | NC(=N)c1cccc(O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)Oc4cccc(c4)C(N)=N)c1 | | OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)OC2COC3C2OCC3Oc4cccc(c4)C(=N)N)C(=N)N | | OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N |
|
| Name: | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL;
2,5-O,O-BIS-(3',3"-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL |
| DrugBank: | DB04790 |
| ZINC: | ZINC000003990712 |
zhanggroup.org