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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H41N5O4S
Molecular Weight 579.753
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-THIAZOLYLMETHYL N-((1R,4R)-4-(((2S)-2-AMINO-4-(4-MORPHOLINYL)-1-OXOBUTYL)AMINO)-5-PHENYL-1-(PHENYLMETHYL)PENTYL)CARBAMATE

SMILES

N[C@@H](CCN1CCOCC1)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4

InChI

InChIKey=VEVJHMLOQMQSSE-QQJNOOCOSA-N
InChI=1S/C31H41N5O4S/c32-29(13-14-36-15-17-39-18-16-36)30(37)34-26(19-24-7-3-1-4-8-24)11-12-27(20-25-9-5-2-6-10-25)35-31(38)40-22-28-21-33-23-41-28/h1-10,21,23,26-27,29H,11-20,22,32H2,(H,34,37)(H,35,38)/t26-,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H41N5O4S
Molecular Weight 579.753
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:53:39 GMT 2025
Edited
by admin
on Wed Apr 02 09:53:39 GMT 2025
Record UNII
5L23QW29H9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COBICISTAT IMPURITY 2
Preferred Name English
5-THIAZOLYLMETHYL N-((1R,4R)-4-(((2S)-2-AMINO-4-(4-MORPHOLINYL)-1-OXOBUTYL)AMINO)-5-PHENYL-1-(PHENYLMETHYL)PENTYL)CARBAMATE
Systematic Name English
CARBAMIC ACID, N-((1R,4R)-4-(((2S)-2-AMINO-4-(4-MORPHOLINYL)-1-OXOBUTYL)AMINO)-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-, 5-THIAZOLYLMETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
59414265
Created by admin on Wed Apr 02 09:53:39 GMT 2025 , Edited by admin on Wed Apr 02 09:53:39 GMT 2025
PRIMARY
CAS
1051463-15-0
Created by admin on Wed Apr 02 09:53:39 GMT 2025 , Edited by admin on Wed Apr 02 09:53:39 GMT 2025
PRIMARY
FDA UNII
5L23QW29H9
Created by admin on Wed Apr 02 09:53:39 GMT 2025 , Edited by admin on Wed Apr 02 09:53:39 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY