1VR
Summary
| Name: | (3R)-3-amino-4-methylpentanoic acid |
| Synonyms: | beta-3-homovaline |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-amino-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.7.6 | (3R)-3-azanyl-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | GLUJNGJDHCTUJY-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](N)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(CC(=O)O)N |
