RXL
Summary
Name: | Dehydrovaline |
Synonyms: | 2-azanyl-3-methyl-but-2-enoic acid |
Formula: | C5 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 115.13 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-methyl-but-2-enoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8) |
InChIKey | InChI | 1.06 | MNDXTFKURVNNSY-UHFFFAOYSA-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 | 2.0.7 | CC(=C(C(=O)O)N)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C(C(=O)O)N)C |