D0C
Summary
| Name: | 4-chloro-D-phenylalanine |
| Formula: | C9 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.634 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-D-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-(4-chlorophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1ccc(cc1)Cl)C(=O)O |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | NIGWMJHCCYYCSF-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@H](C(=O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C(=O)O)N)Cl |
