CHP
Summary
| Name: | 3-CHLORO-4-HYDROXYPHENYLGLYCINE |
| Formula: | C8 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 201.607 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-2-(3-chloro-4-hydroxy-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1O)C(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](C(O)=O)c1ccc(O)c(Cl)c1 |
| SMILES | CACTVS | 3.341 | N[CH](C(O)=O)c1ccc(O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(C(=O)O)N)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | FLZDFFKRJPLFGS-ZETCQYMHSA-N |
