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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28N2O3
Molecular Weight 392.4907
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(N-((2'-CYANO-(1,1'-BIPHENYL)-4-YL)METHYL)PENTANAMIDO)-3-METHYLBUTANOIC ACID, (2S)-

SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)[C@@H](C(C)C)C(O)=O

InChI

InChIKey=RPEKUWAESSKCLD-QHCPKHFHSA-N
InChI=1S/C24H28N2O3/c1-4-5-10-22(27)26(23(17(2)3)24(28)29)16-18-11-13-19(14-12-18)21-9-7-6-8-20(21)15-25/h6-9,11-14,17,23H,4-5,10,16H2,1-3H3,(H,28,29)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28N2O3
Molecular Weight 392.4907
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 08:40:55 UTC 2023
Edited
by admin
on Sat Dec 16 08:40:55 UTC 2023
Record UNII
KH72U7Q76E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(N-((2'-CYANO-(1,1'-BIPHENYL)-4-YL)METHYL)PENTANAMIDO)-3-METHYLBUTANOIC ACID, (2S)-
Systematic Name English
L-VALINE, N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-N-(1-OXOPENTYL)-
Systematic Name English
(S)-2-(N-((2-CYANOBIPHENYL-4-YL)METHYL)PENTANAMIDO)-3-METHYLBUTANOIC ACID
Systematic Name English
N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-N-(1-OXOPENTYL)-L-VALINE
Systematic Name English
VALSARTAN IMPURITY I
Common Name English
Code System Code Type Description
CAS
443093-86-5
Created by admin on Sat Dec 16 08:40:55 UTC 2023 , Edited by admin on Sat Dec 16 08:40:55 UTC 2023
PRIMARY
FDA UNII
KH72U7Q76E
Created by admin on Sat Dec 16 08:40:55 UTC 2023 , Edited by admin on Sat Dec 16 08:40:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID701166820
Created by admin on Sat Dec 16 08:40:55 UTC 2023 , Edited by admin on Sat Dec 16 08:40:55 UTC 2023
PRIMARY
PUBCHEM
52915438
Created by admin on Sat Dec 16 08:40:55 UTC 2023 , Edited by admin on Sat Dec 16 08:40:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY