N80
1-ethenyl-L-proline
Created: | 2014-11-25 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-ethenyl-L-proline |
Systematic Name (OpenEye OEToolkits) | (2S)-1-ethenylpyrrolidine-2-carboxylic acid |
Formula | C7 H11 N O2 |
Molecular Weight | 141.168 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1N(\C=C)CCC1 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN1C=C |
SMILES | OpenEye OEToolkits | 1.9.2 | C=CN1CCCC1C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@@H]1CCCN1C=C |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C=CN1CCC[C@H]1C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | XOTIFFOSEYHBBR-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21144660 |