Cobicistat

enlarge

Systematic / IUPAC Name: 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate

ID: Reference7560

Other Names: Cobicistatum;
1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate;
1,3-Thiazol-5-ylmethyl N-((2R,5R)-5-{[(2S)-2-({methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl}amino)-4-morpholin-4-ylbutanoyl]amino}-1,6-diphenylhexan-2-yl)carbamate ;
Thiazol-5-ylmethyl (2R,5R)-5-((S)-2-{3-[(2-isopropylthiazol-4-yl)methyl]-3-methylureido}-4-morpholinobutanamido)-1,6-diphenylhexan-2-ylcarbamate

Formula: C40H53N7O5S2

Class: Therapeutics/Prescription Drugs

Spectral Data

Cobicistat 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 91
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2018 12:16:04 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
InChI Key ZCIGNRJZKPOIKD-CQXVEOKZSA-N
Canonical SMILES CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5
CAS
Splash
Other Names Cobicistatum;
1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate;
1,3-Thiazol-5-ylmethyl N-((2R,5R)-5-{[(2S)-2-({methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl}amino)-4-morpholin-4-ylbutanoyl]amino}-1,6-diphenylhexan-2-yl)carbamate ;
Thiazol-5-ylmethyl (2R,5R)-5-((S)-2-{3-[(2-isopropylthiazol-4-yl)methyl]-3-methylureido}-4-morpholinobutanamido)-1,6-diphenylhexan-2-ylcarbamate

In Other Databases

PubChem 25151504
ChemSpider 25084912
ChEMBL CHEMBL2095208
DrugBank DB09065
ChemIDPlus 1004316884
Wikipedia Cobicistat
ChEBI CHEBI:72291
KEGG D09881