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| Ligand ID | LNV |
| InChI | InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1 |
| InChIKey | QNRRHYPPQFELSF-CNYIRLTGSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(=N)N | | ACDLabs 12.01 | O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N | | CACTVS 3.370 | CO[CH]([CH](O)CO)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O | | OpenEye OEToolkits 1.7.2 | [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O | | CACTVS 3.370 | CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |
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| Formula | C13 H22 N4 O7 |
| Name | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
Laninamivir |
| ChEMBL | CHEMBL466246 |
| DrugBank | DB12791 |
| ZINC | ZINC000003985629
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| PDB chain | 3tia Chain A Residue 801
[Download ligand structure]
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[View ligand structure]
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