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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H50N6O5
Molecular Weight 646.8194
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-L-valine 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide

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](N)C(C)(C)C)C(C)(C)C

InChI

InChIKey=JTDOEPWAZDTPRH-SYQUUIDJSA-N
InChI=1S/C36H50N6O5/c1-35(2,3)30(37)32(44)41-42(22-25-16-18-26(19-17-25)27-15-11-12-20-38-27)23-29(43)28(21-24-13-9-8-10-14-24)39-33(45)31(36(4,5)6)40-34(46)47-7/h8-20,28-31,43H,21-23,37H2,1-7H3,(H,39,45)(H,40,46)(H,41,44)/t28-,29-,30+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H50N6O5
Molecular Weight 646.8194
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 05:10:58 GMT 2025
Edited
by admin
on Wed Apr 02 05:10:58 GMT 2025
Record UNII
UXV8UVW0O3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATAZANAVIR METABOLITE M5
Preferred Name English
3-Methyl-L-valine 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide
Systematic Name English
L-Valine, 3-methyl-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide
Systematic Name English
Methyl [(S)-1-{[(2S,3S)-4-{2-[(S)-2-amino-3,3-dimethylbutanoyl]-1-[4-(pyridin-2-yl)benzyl]hydrazineyl}-3-hydroxy-1-phenylbutan-2-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Systematic Name English
Atazanavir amine analog
Common Name English
Atazanavir amine analog [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
UXV8UVW0O3
Created by admin on Wed Apr 02 05:10:58 GMT 2025 , Edited by admin on Wed Apr 02 05:10:58 GMT 2025
PRIMARY
CAS
1028634-76-5
Created by admin on Wed Apr 02 05:10:58 GMT 2025 , Edited by admin on Wed Apr 02 05:10:58 GMT 2025
PRIMARY
PUBCHEM
118753152
Created by admin on Wed Apr 02 05:10:58 GMT 2025 , Edited by admin on Wed Apr 02 05:10:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY