HJY
Summary
| Name: | 4-iodo-N-methyl-D-phenylalanine |
| Formula: | C10 H12 I N O2 |
| Formal charge: | 0 |
| Formula weight: | 305.112 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-iodo-N-methyl-D-phenylalanine |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-3-(4-iodophenyl)-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(Cc1ccc(I)cc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | CAHSXUAIDOEVFH-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H](Cc1ccc(I)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1ccc(I)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN[C@H](Cc1ccc(cc1)I)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(Cc1ccc(cc1)I)C(=O)O |
