BIL
Summary
| Name: | (3R,4S)-3-amino-4-methylhexanoic acid |
| Synonyms: | (R,S)-beta-3-homoisoleucine |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.2 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4S)-3-amino-4-methylhexanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R,4S)-3-amino-4-methyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)C(CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](C)[C@H](N)CC(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](C)[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](C)[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-3-5(2)6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | JHEDYGILOIBOTL-NTSWFWBYSA-N |
