A1L0D

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

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

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count53
Aromatic Bond Count5
2D diagram of A1L0D

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Chemical Component Summary

Name[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid
Systematic Name (OpenEye OEToolkits)[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid
FormulaC16 H27 B N4 O3
Molecular Weight334.222
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OB(O)[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
SMILESOpenEye OEToolkits2.0.7B(C(C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O
Canonical SMILESCACTVS3.385 OB(O)[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
Canonical SMILESOpenEye OEToolkits2.0.7 B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O
InChIInChI1.06 InChI=1S/C16H27BN4O3/c22-16(18-15(17(23)24)12-7-3-1-4-8-12)14-11-21(20-19-14)13-9-5-2-6-10-13/h11-13,15,23-24H,1-10H2,(H,18,22)/t15-/m0/s1
InChIKeyInChI1.06 SSGADSLNPZAYBK-HNNXBMFYSA-N

Related Resource References

Resource NameReference
PubChem 172052331