| PDB CCD ID: | CPW |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C10 H13 N3 O4 |
| InChI: | InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1 |
| InChIKey: | VSGUEKZRMJVQOH-LURJTMIESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O | | ACDLabs 10.04 | O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2 | | OpenEye OEToolkits 1.5.0 | C1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N | | OpenEye OEToolkits 1.5.0 | C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N | | CACTVS 3.341 | N[CH](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O |
|
| Name: | (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID |
| ChEMBL: | CHEMBL337577 |
| DrugBank: | DB03240 |
| ZINC: | ZINC000001490608 |
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