Dataset

Nelfinavir; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000758 contains the MS mass spectrum of Nelfinavir with the InChIkey QAGYKUNXZHXKMR-HKWSIXNMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
SMILES c(c(O)1)(c(C(=O)NC(C(O)CN(C(C(NC(C)(C)C)=O)4)CC(C(C4)3[H])(CCCC3)[H])CSc(c2)cccc2)ccc1)C
InChI Key QAGYKUNXZHXKMR-HKWSIXNMSA-N
Molecular Formula C32H45N3O4S
Exact Mass 567.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000758
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Maintainer
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MetadataPublished 2016-01-19
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    50061306 bindingdb
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    The data in this table is sourced from UniChem at EBI.