9B3
Summary
| Name: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid |
| Formula: | C9 H11 Cl N2 O2 Se |
| Formal charge: | 0 |
| Formula weight: | 293.609 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN2O2Se/c10-7-2-5(3-12-8(7)11)1-6(4-15)9(13)14/h2-3,6,15H,1,4H2,(H2,11,12)(H,13,14)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | ZMJHVPIYUURBAQ-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(C[C@H](C[SeH])C(O)=O)cc1Cl |
| SMILES | CACTVS | 3.385 | Nc1ncc(C[CH](C[SeH])C(O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cnc(c1Cl)N)CC(C[SeH])C(=O)O |
