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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H51N5O6
Molecular Weight 685.8521
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (3S)-4-(((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)AMINO)-4-OXO-3-((QUINOLIN-2-YLCARBONYL)AMINO)BUTANOATE

SMILES

COC(=O)C[C@H](NC(=O)C1=CC=C2C=CC=CC2=N1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C

InChI

InChIKey=SUBWCTRKBWRBIJ-DPEZULJCSA-N
InChI=1S/C39H51N5O6/c1-39(2,3)43-38(49)33-21-27-15-8-9-16-28(27)23-44(33)24-34(45)31(20-25-12-6-5-7-13-25)41-37(48)32(22-35(46)50-4)42-36(47)30-19-18-26-14-10-11-17-29(26)40-30/h5-7,10-14,17-19,27-28,31-34,45H,8-9,15-16,20-24H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t27-,28+,31-,32-,33-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H51N5O6
Molecular Weight 685.8521
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:51:54 GMT 2025
Edited
by admin
on Wed Apr 02 11:51:54 GMT 2025
Record UNII
26G5Y4V583
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAQUINAVIR MESILATE IMPURITY G [EP IMPURITY]
Preferred Name English
METHYL (3S)-4-(((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)AMINO)-4-OXO-3-((QUINOLIN-2-YLCARBONYL)AMINO)BUTANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
162623764
Created by admin on Wed Apr 02 11:51:54 GMT 2025 , Edited by admin on Wed Apr 02 11:51:54 GMT 2025
PRIMARY
FDA UNII
26G5Y4V583
Created by admin on Wed Apr 02 11:51:54 GMT 2025 , Edited by admin on Wed Apr 02 11:51:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP