K5H
Summary
| Name: | (2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid |
| Formula: | C6 H10 F3 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 249.208 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | XESGJTIYWUVVAW-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSCC(O)(O)C(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(=O)O)N)SCC(C(F)(F)F)(O)O |
