A1L0C

[(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid

Created:2024-04-09
Last modified:  2024-10-02

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count48
Aromatic Bond Count5
2D diagram of A1L0C

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Chemical Component Summary

Name[(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid
Systematic Name (OpenEye OEToolkits)[(1~{R})-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid
FormulaC14 H25 B N4 O3
Molecular Weight308.184
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)B(O)O
SMILESOpenEye OEToolkits2.0.7B(C(CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)O
Canonical SMILESCACTVS3.385 CC(C)C[C@H](NC(=O)c1cn(nn1)C2CCCCC2)B(O)O
Canonical SMILESOpenEye OEToolkits2.0.7 B([C@H](CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)O
InChIInChI1.06 InChI=1S/C14H25BN4O3/c1-10(2)8-13(15(21)22)16-14(20)12-9-19(18-17-12)11-6-4-3-5-7-11/h9-11,13,21-22H,3-8H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyInChI1.06 CZNHJEDLONNLAH-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
PubChem 155512795
ChEMBL CHEMBL4437785