HL4
N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
Created: | 2010-09-06 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
Synonyms | N-butyryl-L-homoserine lactone |
Systematic Name (OpenEye OEToolkits) | N-[(3S)-2-oxooxolan-3-yl]butanamide |
Formula | C8 H13 N O3 |
Molecular Weight | 171.194 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1OCCC1NC(=O)CCC |
SMILES | CACTVS | 3.370 | CCCC(=O)N[CH]1CCOC1=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCC(=O)NC1CCOC1=O |
Canonical SMILES | CACTVS | 3.370 | CCCC(=O)N[C@H]1CCOC1=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CCCC(=O)N[C@H]1CCOC1=O |
InChI | InChI | 1.03 | InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | VFFNZZXXTGXBOG-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10130163 |
ChEMBL | CHEMBL207316 |