Darunavir Ritonavir
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Molecular Identity
Darunavir Ritonavir
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
PubChem CID: 42636391
2D Structure
Properties
C64H85N9O12S3
Molecular Formula
1268.60
Molecular Weight
g/mol
1267.5480
Exact Mass
Da
351
TPSA
May have limited oral absorption
7
H-Bond Donors
18
H-Bond Acceptors
1900
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(4)
Darunavir RitonavirDRV & RTVZZHIWQHTTWKERA-VWDRUZKASA-N[rac-(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[rac-(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate;thiazol-5-ylmethyl N-[rac-(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[rac-(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]pentyl]carbamate
Data from PubChem (NCBI)
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