nelfinavir

(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

CAS: 159989-64-7

Molecular Formula	`C32H45N3O4S`
Molecular Weight	567.8 g/mol
LogP	5.7
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	567.31305
Heavy Atoms	40
Complexity	829.0

Chemical Identifiers

CAS Number	159989-64-7
SMILES	`CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O`
InChIKey	`QAGYKUNXZHXKMR-HKWSIXNMSA-N`

📖 Product Overview

nelfinavir (CAS: 159989-64-7) is a chemical compound with molecular formula C32H45N3O4S and molecular weight 567.8 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. LogP 5.7 Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 567.31305 Heavy Atoms 40 Complexity 829.0 InChI Key: QAGYKUNXZHXKMR-HKWSIXNMSA-N. SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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