Indinavir

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Systematic / IUPAC Name: 1-[4-Benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

ID: Reference2204

Other Names: 1-{2-Hydroxy-4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-phenyl-pentyl}-4-(pyridin-3-ylmethyl)-N-tert-butyl-piperazine-2-carboxamide

Formula: C36H47N5O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Indinavir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2015 12:20:37 PM
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Identificators

InChI InChI=1S/C36H47N5O4/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/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)
InChI Key CBVCZFGXHXORBI-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
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Other Names 1-{2-Hydroxy-4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-phenyl-pentyl}-4-(pyridin-3-ylmethyl)-N-tert-butyl-piperazine-2-carboxamide

In Other Databases

Wikipedia Indinavir
PubChem 3706
ChemSpider 3577