B4R

{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid


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Chemical Component Summary

Name{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
Identifiers[4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{S},7~{a}~{R})-3,3~{a},4,5,6,7~{a}-hexahydro-2~{H}-furo[2,3-b]pyran-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]boronic acid
FormulaC28 H39 B N2 O9 S
Molecular Weight590.493
TypeNON-POLYMER
Isomeric SMILESB(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O
InChIInChI=1S/C28H39BN2O9S/c1-19(2)17-31(41(36,37)22-10-8-21(9-11-22)29(34)35)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)40-26-13-15-39-27-23(26)12-14-38-27/h3-11,19,23-27,32,34-35H,12-18H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1
InChIKeyLVYBBLQFCOXKLU-UIPNDDLNSA-N

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count5
Bond Count83
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 139209103