HLU
BETA-HYDROXYLEUCINE
Created: | 2004-02-02 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 2 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | BETA-HYDROXYLEUCINE |
Systematic Name (OpenEye OEToolkits) | (2S,3S)-2-amino-3-hydroxy-4-methyl-pentanoic acid |
Formula | C6 H13 N O3 |
Molecular Weight | 147.172 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(O)C(C)C |
SMILES | CACTVS | 3.341 | CC(C)[CH](O)[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(C(=O)O)N)O |
Canonical SMILES | CACTVS | 3.341 | CC(C)[C@H](O)[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H]([C@@H](C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1 |
InChIKey | InChI | 1.03 | ZAYJDMWJYCTABM-WHFBIAKZSA-N |
Drug Info: DrugBank
DrugBank ID | DB02978 |
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Name | Beta-Hydroxyleucine |
Groups | experimental |
Synonyms | Beta-Hydroxyleucine |
Categories |
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Related Resource References
Resource Name | Reference |
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PubChem | 6994740, 6994741 |