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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H31N3O2
Molecular Weight 513.6288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-Valine, N,N-bis[(2?-cyano[1,1?-biphenyl]-4-yl)methyl]-, methyl ester

SMILES

COC(=O)[C@H](C(C)C)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChIKey=ACHVMIPEFRAHGY-XIFFEERXSA-N
InChI=1S/C34H31N3O2/c1-24(2)33(34(38)39-3)37(22-25-12-16-27(17-13-25)31-10-6-4-8-29(31)20-35)23-26-14-18-28(19-15-26)32-11-7-5-9-30(32)21-36/h4-19,24,33H,22-23H2,1-3H3/t33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H31N3O2
Molecular Weight 513.6288
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 Wed Apr 02 18:42:48 GMT 2025
Edited
by admin
on Wed Apr 02 18:42:48 GMT 2025
Record UNII
YS7VL8EQD2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-Bis[(2?-cyano[1,1?-biphenyl]-4-yl)methyl]-L-valine methyl ester
Preferred Name English
L-Valine, N,N-bis[(2?-cyano[1,1?-biphenyl]-4-yl)methyl]-, methyl ester
Common Name English
Code System Code Type Description
CAS
1353844-77-5
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY
FDA UNII
YS7VL8EQD2
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY
PUBCHEM
89605394
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY