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

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H52N6O7
Molecular Weight 704.8555
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATAZANAVIR S,R,R,S-DIASTEREOMER

SMILES

[H][C@@](O)(CN(CC1=CC=C(C=C1)C2=NC=CC=C2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@@]([H])(CC3=CC=CC=C3)NC(=O)[C@@]([H])(NC(=O)OC)C(C)(C)C

InChI

InChIKey=AXRYRYVKAWYZBR-SEVDZJIVSA-N
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ATAZANAVIR S,R,R,S-DIASTEREOMER
Common Name English
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-, 1,14-DIMETHYL ESTER, (3R,8S,9S,12R)-
Systematic Name English
ATAZANAVIR SULFATE IMPURITY H [EP IMPURITY]
Common Name English
1,14-DIMETHYL (3R,8S,9S,12R)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-2,5,6,10,13-PENTAAZATETRADECANEDIOATE
Systematic Name English
METHYL ((5S,10R,11R,14S)-11-BENZYL-5-TERT-BUTYL-10-HYDROXY-15,15-DIMETHYL-3,6,13-TRIOXO-8-((4-(PYRIDIN-2-YL)PHENYL)METHYL)-2-OXA-4,7,8,12-TETRAAZAHEXADECAN-14-YL)CARBAMATE
Systematic Name English
Code System Code Type Description
PUBCHEM
22940469
Created by admin on Sat Dec 16 18:55:10 GMT 2023 , Edited by admin on Sat Dec 16 18:55:10 GMT 2023
PRIMARY
CAS
1292296-11-7
Created by admin on Sat Dec 16 18:55:10 GMT 2023 , Edited by admin on Sat Dec 16 18:55:10 GMT 2023
PRIMARY
FDA UNII
QU98MUT63J
Created by admin on Sat Dec 16 18:55:10 GMT 2023 , Edited by admin on Sat Dec 16 18:55:10 GMT 2023
PRIMARY