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Ritonavir

View entire compound with spectra: 2 FTIR, and 1 Raman

Ritonavir
SpectraBase Compound ID BNwgkVy1DjJ
InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N
Mol Weight 720.9 g/mol
Molecular Formula C37H48N6O5S2
Exact Mass 720.312761 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID CvpdTH8Wfiy
Name Ritonavir
Source of Sample Cayman Chemical Company
Catalog Number 13872
Lot Number 0470980-8
Accessory DurasamplIR II
Acronyms RTV
Apodization Function Norton-Beer, medium
CAS Registry Number 155213-67-5
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48N6O5S2
IUPAC Name (3S,4S,6S,9S)-4-Hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic acid, 5-thiazolylmethyl ester
InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N
Instrument Name Bio-Rad FTS
SMILES N([C@]([C@](C[C@](Cc1ccccc1)(NC([C@@](NC(N(Cc1nc(sc1)C(C)C)C)=O)(C(C)C)[H])=O)[H])(O)[H])(Cc1ccccc1)[H])C(OCc1cncs1)=O
Source of Spectrum Forensic Spectral Research
Synonyms A-84538; ABT-538; NSC 693184
Technique ATR-Neat