6ZS
Summary
| Name: | L-isovaline |
| Formula: | C5 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 117.146 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-2-methyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | GCHPUFAZSONQIV-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@](C)(N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[C](C)(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@](C)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)(C(=O)O)N |
