C6L
N-hexanoyl-L-homoserine
Created: | 2008-06-18 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 1 |
Bond Count | 33 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-hexanoyl-L-homoserine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-(hexanoylamino)-4-hydroxy-butanoic acid |
Formula | C10 H19 N O4 |
Molecular Weight | 217.262 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)CCCCC)CCO |
SMILES | CACTVS | 3.341 | CCCCCC(=O)N[CH](CCO)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)NC(CCO)C(=O)O |
Canonical SMILES | CACTVS | 3.341 | CCCCCC(=O)N[C@@H](CCO)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)N[C@@H](CCO)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | BJLILZXVIKTHKQ-QMMMGPOBSA-N |
Drug Info: DrugBank
DrugBank ID | DB07532 |
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Name | N-hexanoyl-L-homoserine |
Groups | experimental |
Synonyms | N-hexanoyl-L-homoserine |
Related Resource References
Resource Name | Reference |
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PubChem | 24860535 |