7VU
Summary
| Name: | (2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | AWWFDZMDQNOGTL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN[C@@H](Cc1ccc(C)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCN[CH](Cc1ccc(C)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN[C@@H](Cc1ccc(cc1)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(Cc1ccc(cc1)C)C(=O)O |
