| PDB CCD ID: | D5Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H10 Br N3 O4 |
| InChI: | InChI=1S/C8H10BrN3O4/c1-16-7(14)5(10)3-12-2-4(9)6(13)11-8(12)15/h2,5H,3,10H2,1H3,(H,11,13,15)/t5-/m0/s1 |
| InChIKey: | SWCNOWRHWSFLMA-YFKPBYRVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | COC(=O)C(CN1C=C(C(=O)NC1=O)Br)N | | CACTVS 3.385 | COC(=O)[C@@H](N)CN1C=C(Br)C(=O)NC1=O | | CACTVS 3.385 | COC(=O)[CH](N)CN1C=C(Br)C(=O)NC1=O | | OpenEye OEToolkits 2.0.6 | COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N | | ACDLabs 12.01 | O=C1NC(C(=CN1CC(N)C(=O)OC)Br)=O |
|
| Name: | methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate |
umich.edu