55P
Summary
| Name: | (2R,4R)-4-amino-2-methyl-5-phenylpentanoic acid |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4R)-4-amino-2-methyl-5-phenylpentanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,4R)-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CC(C(=O)O)C)Cc1ccccc1 |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | TVHNWAKCVXFPNB-MWLCHTKSSA-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 | 1.9.2 | C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(CC(Cc1ccccc1)N)C(=O)O |
