ZCL
Summary
| Name: | 3,4-dichloro-L-phenylalanine |
| Formula: | C9 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 234.079 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dichloro-L-phenylalanine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(3,4-dichlorophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CC(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 |
