3CT
Summary
| Name: | 3-chloro-L-tyrosine |
| Formula: | C9 H10 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 215.634 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ACWBBAGYTKWBCD-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CC(C(=O)O)N)Cl)O |
