ZCL
3,4-dichloro-L-phenylalanine
| Created: | 2010-12-29 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 23 |
| Chiral Atom Count | 1 |
| Bond Count | 23 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3,4-dichloro-L-phenylalanine |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-3-(3,4-dichlorophenyl)propanoic acid |
| Formula | C9 H9 Cl2 N O2 |
| Molecular Weight | 234.079 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CC(C(=O)O)N |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CC(C(=O)O)N)Cl)Cl |
| Canonical SMILES | CACTVS | 3.370 | N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NRCSJHVDTAAISV-QMMMGPOBSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6993633, 2761498 |
