OD9

(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide

Created: 2022-04-27
Last modified:  2023-04-12

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count62
Aromatic Bond Count24
2D diagram of OD9
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
Systematic Name (OpenEye OEToolkits)2-[3,4-bis(oxidanyl)phenyl]-~{N}-[[4-[[3,4-bis(oxidanyl)phenyl]methyl]phenyl]methyl]-4,5-bis(oxidanyl)benzenesulfonamide
FormulaC26 H23 N O8 S
Molecular Weight509.528
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
SMILESCACTVS3.385Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2)cc1O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1Cc2ccc(c(c2)O)O)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O
Canonical SMILESCACTVS3.385 Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2)cc1O
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1Cc2ccc(c(c2)O)O)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O
InChIInChI1.03 InChI=1S/C26H23NO8S/c28-20-7-5-17(10-22(20)30)9-15-1-3-16(4-2-15)14-27-36(34,35)26-13-25(33)24(32)12-19(26)18-6-8-21(29)23(31)11-18/h1-8,10-13,27-33H,9,14H2
InChIKeyInChI1.03 MJBOUCYGTWUCAO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 167713144