UJR
Summary
| Name: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
| Synonyms: | arylated cysteine |
| Formula: | C7 H8 I N3 O S |
| Formal charge: | 0 |
| Formula weight: | 309.127 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | MJAWREUUBHZDOO-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSc1ncc(I)cn1)C=O |
| SMILES | CACTVS | 3.385 | N[CH](CSc1ncc(I)cn1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cnc(n1)SC[C@@H](C=O)N)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cnc(n1)SCC(C=O)N)I |
