1. Primary Information
| English name: | Valine |
| CAS No.: | 7004-03-7 |
| Molecular formula: | C5H11NO2 |
| Molecular weight: | 117.15 g/mol |
| SMILES: | CC(C)C(C(=O)O)N |
| Structural class: | |
| Other identifiers: |
L Valine L-Valine Valine |
2. Suppliers & Pricing
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-amino-3-methylbutanoic acid
4.2 InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
4.3 InChIKey
KZSNJWFQEVHDMF-BYPYZUCNSA-N
4.4 Canonical SMILES
CC(C)C(C(=O)O)N
4.5 Isomeric SMILES
CC(C)[C@@H](C(=O)O)N
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
