Glecaprevir 13CD3

Product Name Glecaprevir 13CD3
Alternate Names Glecaprevir Stable Isotopes, Stable Isotopes of Glecaprevir
CAT No. CS-CX-00742
CAS No. 1365970-03-1 (Unlabelled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 842.88 g/mol
Mol. For. C3713CH43D3F4N6O9S
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Glecaprevir
Therapeutic Antiretroviral / Anti-HIV
Smileys O=C([C@@]1(NC([C@@]2([H])N(C([C@@](C(C)(C)C)([H])N3)=O)C[C@@](OC4=NC(C=CC=C5)=C5N=C4C(F)(F)/C=C/CO[C@]6([H])CCC[C@@]6([H])OC3=O)([H])C2)=O)C[C@H]1C(F)F)NS(C7([13C]([2H])([2H])[2H])CC7)(=O)=O
Canonical Smiles CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5OCC=CC(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C
InchIKey MLSQGNCUYAMAHD-ITNVBOSISA-N
Inchl InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1
IUPAC (1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
Controlled No
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