| PDB CCD ID: | RQR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H11 N3 O3 S |
| InChI: | InChI=1S/C13H11N3O3S/c17-11(16-8-2-1-7(5-8)13(18)19)10-9-3-4-20-12(9)15-6-14-10/h1-4,6-8H,5H2,(H,16,17)(H,18,19)/t7-,8+/m1/s1 |
| InChIKey: | QXCOOMUNLBGYCR-SFYZADRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[C@H]1C[C@@H](NC(=O)c2ncnc3sccc23)C=C1 | | ACDLabs 12.01 | O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc12 | | OpenEye OEToolkits 2.0.7 | c1csc2c1c(ncn2)C(=O)NC3CC(C=C3)C(=O)O | | OpenEye OEToolkits 2.0.7 | c1csc2c1c(ncn2)C(=O)N[C@@H]3C[C@@H](C=C3)C(=O)O | | CACTVS 3.385 | OC(=O)[CH]1C[CH](NC(=O)c2ncnc3sccc23)C=C1 |
|
| Name: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid |
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