CWD
Summary
| Name: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
| Synonyms: | chlorowillardiine |
| Formula: | C7 H8 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 233.609 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-[5-chloranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CN1C=C(Cl)C(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CN1C=C(Cl)C(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H8ClN3O4/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 | HEHLSRRDKJVHOM-BYPYZUCNSA-N |
