Nelfinavir mesylate

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid

CAS: 159989-65-8

Molecular Formula	`C33H49N3O7S2`
Molecular Weight	663.9 g/mol
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	663.3012
Heavy Atoms	45
Complexity	922.0

Chemical Identifiers

CAS Number	159989-65-8
SMILES	`CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O`
InChIKey	`NQHXCOAXSHGTIA-SKXNDZRYSA-N`

📖 Product Overview

Nelfinavir mesylate (CAS: 159989-65-8) is a chemical compound with molecular formula C33H49N3O7S2 and molecular weight 663.9 g/mol. Its IUPAC systematic name is (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid. Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 663.3012 Heavy Atoms 45 Complexity 922.0 InChI Key: NQHXCOAXSHGTIA-SKXNDZRYSA-N. SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O.

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