Ritonavir

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Systematic / IUPAC Name: N-(4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl)-N-2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide

ID: Reference900

Other Names: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl), 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-;
1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate;
Norvir;
Ritonavire

Formula: C37H48N6O5S2

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 158
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/25/2015 5:07:03 PM
View Mass Spec Data > >

Identificators

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
InChI Key NCDNCNXCDXHOMX-XGKFQTDJSA-N
Canonical SMILES
CAS 155213675
Splash
Other Names 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl), 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-;
1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate;
Norvir;
Ritonavire

In Other Databases

ChemSpider 347980
DrugBank APRD00312
PubChem 392622
HMDb HMDB14646
Wikipedia Ritonavir
ChEMBL CHEMBL163
KEGG C07240; D00427