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 |