CID9850674
(3S,4aS,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;benzoic acid
Also Known As: Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,
CAS: 201402-98-4
| Molecular Formula | C31H45N3O4S |
|---|---|
| Molecular Weight | 555.31305 g/mol |
| LogP | 4.6471 |
| Topological Polar Surface Area | 115.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 555.31305 |
| Monoisotopic Mass | 555.31305 |
| Heavy Atoms | 39 |
| Complexity | 1031.1345 |
Chemical Identifiers
| CAS Number | 201402-98-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSC3=CC=CC=C3)N)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
CID9850674 (CAS 201402-98-4), with molecular formula C31H45N3O4S and molecular weight 555.31305 g/mol. IUPAC: (3S,4aS,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;benzoic acid.
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.
View MSDS →
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