A1CTT
Summary
| Name: | 2-phenyl-D-alanine |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-phenyl-D-alanine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-2-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(N)(C(=O)O)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | HTCSFFGLRQDZDE-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@](N)(C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[C](N)(C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@](c1ccccc1)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccccc1)(C(=O)O)N |
