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Lopinavir
SpectraBase Compound ID 5nC0ODyUfk9
InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
InChIKey KJHKTHWMRKYKJE-SUGCFTRWSA-N
Mol Weight 628.8 g/mol
Molecular Formula C37H48N4O5
Exact Mass 628.362471 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CzXqgOxWXAT
Name Lopinavir
Source of Sample Cayman Chemical Company
Catalog Number 13854
Lot Number 0452427-20
Apodization Function Norton-Beer, medium
CAS Registry Number 192725-17-0
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48N4O5
IUPAC Name N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-αS-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide
InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
InChIKey KJHKTHWMRKYKJE-SUGCFTRWSA-N
Instrument Name Bio-Rad FTS
SMILES N(C([C@@](N1C(NCCC1)=O)(C(C)C)[H])=O)[C@](C[C@@]([C@](Cc1ccccc1)(NC(COc1c(C)cccc1C)=O)[H])(O)[H])(Cc1ccccc1)[H]
Source of Spectrum Forensic Spectral Research
Synonyms A-157378.0; ABT-378
Technique KBr0