1OJ

(2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide


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Chemical Component Summary

Name(2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide
Identifiers(2R)-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)-N-(3-sulfamoylphenyl)sulfonyl-ethanamide
FormulaC28 H30 N4 O7 S2
Molecular Weight598.69
TypeNON-POLYMER
Isomeric SMILESCCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3
InChIInChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1
InChIKeyQHVDUHFNSHQJRC-HHHXNRCGSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count1
Bond Count74
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 71627416
ChEMBL CHEMBL2431609