200
Summary
| Name: | 4-CHLORO-L-PHENYLALANINE |
| Formula: | C9 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.634 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-chloro-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-chlorophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NIGWMJHCCYYCSF-QMMMGPOBSA-N |
