Q8X
Summary
| Name: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal |
| Formula: | C14 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 289.353 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | ANWKVUXJRPIXEU-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSCc1ccc(nc1)c2ccccn2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(cn2)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(cn2)CSCC(C(=O)O)N |
