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| Ligand ID | PH5 |
| InChI | InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1 |
| InChIKey | XDURJXFZCXMSHL-YZKZVDITSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O | | CACTVS 3.341 | CCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O | | CACTVS 3.341 | CCC(=O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O | | OpenEye OEToolkits 1.5.0 | CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O | | ACDLabs 10.04 | O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2 |
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| Formula | C19 H27 N O9 |
| Name | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
2-PHENYL-PROP5AC;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000016051842
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| PDB chain | 2bve Chain B Residue 1119
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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