VME
Summary
| Name: | METHYL L-VALINATE |
| Synonyms: | O-METHYLVALINE |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl L-valinate |
| OpenEye OEToolkits | 1.7.0 | methyl (2S)-2-azanyl-3-methyl-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)[C@@H](N)C(C)C |
| SMILES | CACTVS | 3.370 | COC(=O)[CH](N)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)[C@@H](C(=O)OC)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(C(=O)OC)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CEMZBWPSKYISTN-YFKPBYRVSA-N |
