7T2
Summary
| Name: | (2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid |
| Formula: | C10 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.661 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(4-chlorophenyl)-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClNO2/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-/m0/s1 |
| InChIKey | InChI | 1.03 | PVXYVWVFWHBBMH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1ccc(Cl)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](Cc1ccc(cc1)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(Cc1ccc(cc1)Cl)C(=O)O |
