0UZ
Summary
| Name: | (2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid |
| Formula: | C8 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 201.607 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-2-(3-chloranyl-4-oxidanyl-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1O)C(C(=O)O)N |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | FLZDFFKRJPLFGS-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C(O)=O)c1ccc(O)c(Cl)c1 |
| SMILES | CACTVS | 3.370 | N[CH](C(O)=O)c1ccc(O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1[C@H](C(=O)O)N)Cl)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C(C(=O)O)N)Cl)O |
