| PDB CCD ID: | 0J2 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C10 H11 N5 O4 |
| InChI: | InChI=1S/C10H11N5O4/c1-3(2-4(16)17)6-7(18)5-8(15-14-6)12-10(11)13-9(5)19/h3H,2H2,1H3,(H,16,17)(H4,11,12,13,15,18,19)/t3-/m1/s1 |
| InChIKey: | KXEAQLNQKVKEGT-GSVOUGTGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N | | CACTVS 3.370 | C[C@H](CC(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O | | ACDLabs 12.01 | O=C(O)CC(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C | | OpenEye OEToolkits 1.7.6 | CC(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N | | CACTVS 3.370 | C[CH](CC(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O |
|
| Name: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid |
| ZINC: | ZINC000095920571 |
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