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| Ligand ID | OYV |
| InChI | InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1 |
| InChIKey | YIGUGMFHMVTCHU-VUGGRDAHSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)C=CC1=C(CC[CH](O)[CH](O)[CH](O)CO)NC(=O)NC1=O | | CACTVS 3.385 | CC(=O)/C=C/C1=C(CC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)NC1=O | | OpenEye OEToolkits 2.0.7 | CC(=O)C=CC1=C(NC(=O)NC1=O)CCC(C(C(CO)O)O)O | | ACDLabs 12.01 | C(=O)([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)O)O)=O)C | | OpenEye OEToolkits 2.0.7 | CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O |
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| Formula | C14 H20 N2 O7 |
| Name | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6puk Chain C Residue 402
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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