KBV
Summary
| Name: | (3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid |
| Formula: | C14 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 235.322 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-azanyl-4-(4-~{tert}-butylphenyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1ccc(C(C)(C)C)cc1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)8-12(15)9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | KDMFJTJDCJZSGE-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(C[C@@H](N)CC(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(C[CH](N)CC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)CC(CC(=O)O)N |
