WVL
Summary
| Name: | (2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid |
| Formula: | C8 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 157.21 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-2-azanyl-3,5-dimethyl-hex-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(\C=C(/C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | ACJIBDJXENOACA-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](C=C(C)C)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](C=C(C)C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C=C(C)C)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C=C(C)C)C(C(=O)O)N |
