ZLX
methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Created: | 2023-06-28 |
Last modified: | 2024-01-31 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 2 |
Bond Count | 31 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
Systematic Name (OpenEye OEToolkits) | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
Formula | C11 H13 N O5 |
Molecular Weight | 239.225 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CC(CN1C(=O)c2ccco2)O |
Canonical SMILES | CACTVS | 3.385 | COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O |
InChI | InChI | 1.06 | InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1 |
InChIKey | InChI | 1.06 | GVYWVRYDCMRUCE-YUMQZZPRSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 1480349 |