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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H47N5O5
Molecular Weight 653.8103
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((3S)-1-((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)-2,5-DIOXOPYRROLIDIN-3-YL)QUINOLINE-2-CARBOXAMIDE

SMILES

[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC3=CC=CC=C3)N4C(=O)C[C@H](NC(=O)C5=NC6=C(C=CC=C6)C=C5)C4=O)[C@@H](C2)C(=O)NC(C)(C)C

InChI

InChIKey=CZYXJMQQHSRYRN-UGJKXSETSA-N
InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-20-26-14-7-8-15-27(26)22-42(32)23-33(44)31(19-24-11-5-4-6-12-24)43-34(45)21-30(37(43)48)40-35(46)29-18-17-25-13-9-10-16-28(25)39-29/h4-6,9-13,16-18,26-27,30-33,44H,7-8,14-15,19-23H2,1-3H3,(H,40,46)(H,41,47)/t26-,27+,30-,31-,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H47N5O5
Molecular Weight 653.8103
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 11:28:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:13 GMT 2023
Record UNII
5SW6LFY8NS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((3S)-1-((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)-2,5-DIOXOPYRROLIDIN-3-YL)QUINOLINE-2-CARBOXAMIDE
Systematic Name English
SAQUINAVIR MESILATE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
5SW6LFY8NS
Created by admin on Sat Dec 16 11:28:13 GMT 2023 , Edited by admin on Sat Dec 16 11:28:13 GMT 2023
PRIMARY
PUBCHEM
155928857
Created by admin on Sat Dec 16 11:28:13 GMT 2023 , Edited by admin on Sat Dec 16 11:28:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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EP