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Darunavir-[13C6]

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General Information
Catalog: BLP-002441
Molecular Formula: C21[13C]6H37N3O7S
Molecular Weight: 553.62

Chemical Structure

Description	Darunavir-[13C6], is the labelled analogue of Darunavir. Darunavir is a second generation protease inhibitor that targets the HIV-1 protease. Darunavir is an antiretroviral medication used to treat and prevent HIV/AIDS.
Synonyms	Darunavir 13C6; [13C6]-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic acid (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
IUPAC Name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CAS	206361-99-1 (unlabelled)
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI	InChI=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+/m0/s1/i8+1,9+1,10+1,11+1,20+1,21+1
InChI Key	CJBJHOAVZSMMDJ-JKTPKFKQSA-N