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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

[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)OC)NC(=O)C4=NC5=CC=CC=C5C=C4)[C@@H](C2)C(=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 Sat Dec 16 18:38:25 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:25 GMT 2023
Record UNII
26G5Y4V583
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
SAQUINAVIR MESILATE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
162623764
Created by admin on Sat Dec 16 18:38:25 GMT 2023 , Edited by admin on Sat Dec 16 18:38:25 GMT 2023
PRIMARY
FDA UNII
26G5Y4V583
Created by admin on Sat Dec 16 18:38:25 GMT 2023 , Edited by admin on Sat Dec 16 18:38:25 GMT 2023
PRIMARY
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EP