3CT
3-chloro-L-tyrosine
| Created: | 2013-12-18 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 1 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3-chloro-L-tyrosine |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)propanoic acid |
| Formula | C9 H10 Cl N O3 |
| Molecular Weight | 215.634 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1O)CC(C(=O)O)N |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CC(C(=O)O)N)Cl)O |
| Canonical SMILES | CACTVS | 3.385 | N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O |
| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6951085, 110992 |
| ChEMBL | CHEMBL3808682 |
| ChEBI | CHEBI:53678 |
