Chemical Component Summary |
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| Name | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL |
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| Synonyms | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL |
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| Systematic Name (OpenEye OEToolkits) | 4-[[(3R,3aR,6S,6aR)-6-(4-carbamimidoylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[4,5-b]furan-3-yl]oxy]benzenecarboximidamide |
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| Formula | C20 H22 N4 O4 |
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| Molecular Weight | 382.413 |
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| Type | NON-POLYMER |
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Chemical Descriptors |
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| Type | Program | Version | Descriptor |
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| SMILES | ACDLabs | 10.04 | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4ccc(cc4)C(N)=N)cc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OC2COC3C2OCC3Oc4ccc(cc4)C(=N)N |
| Canonical SMILES | 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 |
| Canonical SMILES | 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 |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | CDEVHSIVANGYRI-XMTFNYHQSA-N |
