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Indinavir Sulfate

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For Research Use Only | Not For Clinical Use
CATAPS157810816
CAS157810-81-6
Structure
SynonymsIndinavir sulfate, (2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-(1,1- dimethylethyl)-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide sulfate ethanolate
IUPAC Name(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid
Molecular Weight711.87
Molecular FormulaC36H47N5O4.H2O4S
Canonical SMILESCC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45.OS(=O)(=O)O
InChIInChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43
Accurate Mass711.3302
FormatNeat
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