BLE
LEUCINE BORONIC ACID
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | LEUCINE BORONIC ACID |
Systematic Name (OpenEye OEToolkits) | [(1R)-1-azanyl-3-methyl-butyl]boronic acid |
Formula | C5 H14 B N O2 |
Molecular Weight | 130.981 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OB(O)C(N)CC(C)C |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)B(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | B(C(CC(C)C)N)(O)O |
Canonical SMILES | CACTVS | 3.370 | CC(C)C[C@H](N)B(O)O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | B([C@H](CC(C)C)N)(O)O |
InChI | InChI | 1.03 | InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1 |
InChIKey | InChI | 1.03 | BMGMQYRPZOGZFU-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 18662925 |