| PDB CCD ID: | TXS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H21 N3 O4 |
| InChI: | InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1 |
| InChIKey: | XUSBTLVYPZUOAW-WOPDTQHZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC1=CN([C@@H]2C[C@@H](O)[C@H](CN3CCCC3)O2)C(=O)NC1=O | | CACTVS 3.341 | CC1=CN([CH]2C[CH](O)[CH](CN3CCCC3)O2)C(=O)NC1=O | | ACDLabs 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3 | | OpenEye OEToolkits 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3CCCC3)O | | OpenEye OEToolkits 1.5.0 | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O |
|
| Name: | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione;
5'-deoxy-5'-pyrrolidin-1-ylthymidine |
| DrugBank: | DB08661 |
| ZINC: | ZINC000053683282 |
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