U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H48N6O4
Molecular Weight 652.8255
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=CSDLHWPUQBJMAE-DPEZULJCSA-N
InChI=1S/C38H48N6O4/c1-38(2,3)43-37(48)33-22-27-14-7-8-15-28(27)23-44(33)24-34(45)32(21-25-11-5-4-6-12-25)42-36(47)31(19-20-39)41-35(46)30-18-17-26-13-9-10-16-29(26)40-30/h4-6,9-13,16-18,27-28,31-34,45H,7-8,14-15,19,21-24H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t27-,28+,31-,32-,33-,34+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-((1S)-2-(((1S,2R)-1-BENZYL-3-((3S,4AS,8AS)-3-((1,1-DIMETHYLETHYL)CARBAMOYL)OCTAHYDROISOQUINOLIN-2(1H)-YL)-2-HYDROXYPROPYL)AMINO)-1-(CYANOMETHYL)-2-OXOETHYL)QUINOLINE-2-CARBOXAMIDE
Systematic Name English
SAQUINAVIR MESILATE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
162623949
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY
FDA UNII
HDK67CGR2C
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY