OH5
Summary
| Name: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | TVHNWAKCVXFPNB-GXSJLCMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C[C@@H](N)Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](C[CH](N)Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(Cc1ccccc1)N)C(=O)O |
