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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H63N7O8
Molecular Weight 818.0131
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Atazanavir dipeptide analog

SMILES

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

InChI

InChIKey=PLCUSVCMZZGVPM-JFKVGHNISA-N
InChI=1S/C44H63N7O8/c1-42(2,3)34(48-40(56)58-10)37(53)46-32(25-28-17-13-12-14-18-28)33(52)27-51(26-29-20-22-30(23-21-29)31-19-15-16-24-45-31)50-39(55)36(44(7,8)9)47-38(54)35(43(4,5)6)49-41(57)59-11/h12-24,32-36,52H,25-27H2,1-11H3,(H,46,53)(H,47,54)(H,48,56)(H,49,57)(H,50,55)/t32-,33-,34+,35+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H63N7O8
Molecular Weight 818.0131
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:14:03 GMT 2025
Edited
by admin
on Wed Apr 02 21:14:03 GMT 2025
Record UNII
8EGM6T8MBS
Record Status Validated (UNII)
Record Version
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Name Type Language
Atazanavir dipeptide analog
Common Name English
Atazanavir dipeptide analog [USP IMPURITY]
Preferred Name English
Methyl {(5S,8S,13S,14S,17S)-14-benzyl-5,8-di-tert-butyl-13-hydroxy-18,18-dimethyl-3,6,9,16-tetraoxo-11-[4-(pyridin-2-yl)benzyl]-2-oxa-4,7,10,11,15-pentaazanonadecan-17-yl}carbamate
Systematic Name English
Code System Code Type Description
FDA UNII
8EGM6T8MBS
Created by admin on Wed Apr 02 21:14:03 GMT 2025 , Edited by admin on Wed Apr 02 21:14:03 GMT 2025
PRIMARY
Related Record Type Details
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