Dataset

Indinavir

This MassBank record with Accession MSBNK-Waters-WA000786 contains the MS mass spectrum of Indinavir with the InChIkey CBVCZFGXHXORBI-PXQQMZJSSA-N.

Chemical Info

molecular Image
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)/t28-,29+,31+,32-,33+/m1/s1
SMILES C(C(NC(=O)C(CC(CN(C4)C(C(=O)NC(C)(C)C)CN(Cc(c5)cncc5)C4)O)Cc(c3)cccc3)1)(Cc(c2)c1ccc2)O
InChI Key CBVCZFGXHXORBI-PXQQMZJSSA-N
Molecular Formula C36H47N5O4
Exact Mass 613.363 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000786
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MetadataCreated 2024-01-11T22:38:56.099013
MetadataModified 2025-02-09T20:21:46.790573
MetadataPublished 2016-01-19
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