IWD
Summary
| Name: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID |
| Synonyms: | IODO-WILLARDIINE |
| Formula: | C7 H8 I N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 325.061 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CN1C=C(I)C(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CN1C=C(I)C(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)I |
| InChI | InChI | 1.03 | InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | AXXYLTBQIQBTES-BYPYZUCNSA-N |
