HCL
Summary
| Name: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
| Formula: | C8 H8 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 217.606 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | DFGDRLKNGUTURO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](C(O)=O)c1cc(O)cc(O)c1Cl |
| SMILES | CACTVS | 3.370 | N[CH](C(O)=O)c1cc(O)cc(O)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1C(C(=O)O)N)Cl)O)O |
