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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31N5O3
Molecular Weight 449.5453
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1-OXOPENTYL)-N-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINE METHYL ESTER

SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3)[C@@H](C(C)C)C(=O)OC

InChI

InChIKey=UJTNRXYTECQKFO-QHCPKHFHSA-N
InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H31N5O3
Molecular Weight 449.5453
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:19 UTC 2023
Edited
by admin
on Sat Dec 16 09:27:19 UTC 2023
Record UNII
7BZQ418Z0J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1-OXOPENTYL)-N-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINE METHYL ESTER
Systematic Name English
VALSARTAN RELATED COMPOUND E
USP-RS  
Common Name English
L-VALINE, N-(1-OXOPENTYL)-N-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-, METHYL ESTER
Systematic Name English
VALSARTAN RELATED COMPOUND E [USP-RS]
Common Name English
VALSARTAN IMPURITY E
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50468616
Created by admin on Sat Dec 16 09:27:19 UTC 2023 , Edited by admin on Sat Dec 16 09:27:19 UTC 2023
PRIMARY
RS_ITEM_NUM
1708810
Created by admin on Sat Dec 16 09:27:19 UTC 2023 , Edited by admin on Sat Dec 16 09:27:19 UTC 2023
PRIMARY
CAS
137863-17-3
Created by admin on Sat Dec 16 09:27:19 UTC 2023 , Edited by admin on Sat Dec 16 09:27:19 UTC 2023
PRIMARY
FDA UNII
7BZQ418Z0J
Created by admin on Sat Dec 16 09:27:19 UTC 2023 , Edited by admin on Sat Dec 16 09:27:19 UTC 2023
PRIMARY
PUBCHEM
11561462
Created by admin on Sat Dec 16 09:27:19 UTC 2023 , Edited by admin on Sat Dec 16 09:27:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY