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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H54N6O7
Molecular Weight 718.8821
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl {(6S,11S,12S,15S)-12-benzyl-6-(tert-butyl)-11-hydroxy-16,16-dimethyl-4,7,14-trioxo-9-[4-(pyridin-2-yl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamate

SMILES

CCOC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)CC2=CC=C(C=C2)C3=CC=CC=N3)C(C)(C)C

InChI

InChIKey=BXBKHHJEHPEGFG-UYEZAFAQSA-N
InChI=1S/C39H54N6O7/c1-9-52-37(50)43-33(39(5,6)7)35(48)44-45(24-27-18-20-28(21-19-27)29-17-13-14-22-40-29)25-31(46)30(23-26-15-11-10-12-16-26)41-34(47)32(38(2,3)4)42-36(49)51-8/h10-22,30-33,46H,9,23-25H2,1-8H3,(H,41,47)(H,42,49)(H,43,50)(H,44,48)/t30-,31-,32+,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H54N6O7
Molecular Weight 718.8821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:55:06 GMT 2025
Edited
by admin
on Wed Apr 02 19:55:06 GMT 2025
Record UNII
STW4R9J9YB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl {(6S,11S,12S,15S)-12-benzyl-6-(tert-butyl)-11-hydroxy-16,16-dimethyl-4,7,14-trioxo-9-[4-(pyridin-2-yl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamate
Systematic Name English
Atazanavir ethyl analog
Preferred Name English
Atazanavir ethyl analog [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
STW4R9J9YB
Created by admin on Wed Apr 02 19:55:06 GMT 2025 , Edited by admin on Wed Apr 02 19:55:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY