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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H50N6O5
Molecular Weight 670.8408
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-N1-((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)-2-((QUINOLIN-2-YLCARBONYL)AMINO)BUTANEDIAMIDE

SMILES

[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC(N)=O)NC(=O)C4=NC5=CC=CC=C5C=C4)[C@@H](C2)C(=O)NC(C)(C)C

InChI

InChIKey=QWAXKHKRTORLEM-NSVAWXKESA-N
InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31+,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H50N6O5
Molecular Weight 670.8408
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 14:37:00 GMT 2023
Edited
by admin
on Sat Dec 16 14:37:00 GMT 2023
Record UNII
X843K78SPS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R)-N1-((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)-2-((QUINOLIN-2-YLCARBONYL)AMINO)BUTANEDIAMIDE
Systematic Name English
SAQUINAVIR MESILATE IMPURITY D [EP IMPURITY]
Common Name English
2-EPI-SAQUINAVIR
Common Name English
Code System Code Type Description
FDA UNII
X843K78SPS
Created by admin on Sat Dec 16 14:37:00 GMT 2023 , Edited by admin on Sat Dec 16 14:37:00 GMT 2023
PRIMARY
PUBCHEM
3000788
Created by admin on Sat Dec 16 14:37:00 GMT 2023 , Edited by admin on Sat Dec 16 14:37:00 GMT 2023
PRIMARY
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EP