Molecular properties
- Formula
- C40H53N7O5S2
- Molar mass
- 776.04 g·mol−1
- Exact mass
- 775.3550 Da
- 18
- PubChem CID
- 25151504
Molecule record
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
C40H53N7O5S2
776.04 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Aromatic ring
Ester
Ether
Secondary amine
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1004316-88-4
- 9350, GS
- CHEBI:72291
- COBICISTAT, (R,R,S)-
- Cobicistat
- Cobicistat (GS-9350)
- Cobicistat,GS-9350
- DTXCID1065760
Show all 24 synonyms
- DTXSID00143269
- EVOTAZ COMPONENT COBICISTAT
- GENVOYA COMPONENT COBICISTAT
- GS-9350
- GS9350
- LW2E03M5PG
- MFCD18251449
- PREZCOBIX COMPONENT COBICISTAT
- REZOLSTA COMPONENT COBICISTAT
- RefChem:56763
- STRIBILD COMPONENT COBICISTAT
- SYMTUZA COMPONENT COBICISTAT
- Tybost
- UNII-LW2E03M5PG
- V03AX03
- cobicistatum
Structure identifiers
- Canonical SMILES
- CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
- Isomeric SMILES
- CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5
- 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
- InChIKey
- ZCIGNRJZKPOIKD-CQXVEOKZSA-N
- PubChem CID
- 25151504
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 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; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 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; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.