9HI

(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid


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Chemical Component Summary

Name(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid
Identifiers(3R,5R)-7-[4-[(4-aminocarbonylphenyl)sulfamoyl]-2,3-bis(4-fluorophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid
FormulaC33 H35 F2 N3 O7 S
Molecular Weight655.709
TypeNON-POLYMER
Isomeric SMILESCC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N
InChIInChI=1S/C33H35F2N3O7S/c1-19(2)30-32(46(44,45)37-25-13-7-22(8-14-25)33(36)43)29(20-3-9-23(34)10-4-20)31(21-5-11-24(35)12-6-21)38(30)16-15-26(39)17-27(40)18-28(41)42/h3-14,19,26-27,37,39-40H,15-18H2,1-2H3,(H2,36,43)(H,41,42)/t26-,27-/m1/s1
InChIKeyIYYNBGFAAGBIAX-KAYWLYCHSA-N

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count2
Bond Count84
Aromatic Bond Count25

Related Resource References

Resource NameReference
PubChem 11592691
ChEMBL CHEMBL1207424