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(+)-Darunavir

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For Research Use Only | Not For Clinical Use
CATAPS1399859609
CAS1399859-60-9
SynonymsN-[(1R,2S)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S,3aR,6aS)-hexahydrofuro[2,3-b]Furan-3-yl Carbamic Acid Ester
IUPAC Name[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1R,2S)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Weight547.66
Molecular FormulaC27H37N3O7S
Canonical SMILESCC(C)CN(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@H]23)S(=O)(=O)c4ccc(N)cc4
InChIInChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m1/s1
Accurate Mass547.2352
FormatNeat
SubcategoryHCV protease inhibitors, Antivirals and antiretrovirals, Antivirals
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