| PDB CCD ID: | UBP |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C10 H13 N3 O6 |
| InChI: | InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m0/s1 |
| InChIKey: | CNWDQZBURPNJRN-LURJTMIESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[CH](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O | | ACDLabs 10.04 | O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O | | CACTVS 3.341 | N[C@@H](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)N(C1=O)CCC(=O)O)CC(C(=O)O)N | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N |
|
| Name: | 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine;
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione |
| ChEMBL: | CHEMBL200737 |
| ZINC: | ZINC000013677278 |
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