HWD
Summary
| Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID |
| Synonyms: | WILLARDIINE |
| Formula: | C7 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 199.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CN1C=CC(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CN1C=CC(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CN1C=CC(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | FACUYWPMDKTVFU-BYPYZUCNSA-N |
