H5S

(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one


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Chemical Component Summary

Name(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one
Identifiers(5S)-5-tert-butyl-1-[(4-fluoro-3-methyl-phenyl)methyl]-4-hydroxy-3-(8-methylsulfonyl-1,1-dioxo-7,9-dihydro-6H-[1,2]thiazolo[4,5-h]isoquinolin-3-yl)-5H-pyrrol-2-one
FormulaC27 H30 F N3 O6 S2
Molecular Weight575.672
TypeNON-POLYMER
Isomeric SMILESCc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C
InChIInChI=1S/C27H30FN3O6S2/c1-15-12-16(6-9-20(15)28)13-31-25(27(2,3)4)23(32)21(26(31)33)22-18-8-7-17-10-11-30(38(5,34)35)14-19(17)24(18)39(36,37)29-22/h6-9,12,25,32H,10-11,13-14H2,1-5H3/t25-/m1/s1
InChIKeyYRWZNTIWOPXYQZ-RUZDIDTESA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count1
Bond Count73
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 135926456