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Details

Stereochemistry ACHIRAL
Molecular Formula C26H27N7O3
Molecular Weight 485.5377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester

SMILES

COC(=O)CCN(C(=O)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(N)=N)=NC2=C1)C4=CC=CC=N4

InChI

InChIKey=YNXUXWCCKIZGCU-UHFFFAOYSA-N
InChI=1S/C26H27N7O3/c1-32-21-11-8-18(26(35)33(14-12-24(34)36-2)22-5-3-4-13-29-22)15-20(21)31-23(32)16-30-19-9-6-17(7-10-19)25(27)28/h3-11,13,15,30H,12,14,16H2,1-2H3,(H3,27,28)

HIDE SMILES / InChI

Molecular Formula C26H27N7O3
Molecular Weight 485.5377
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:35 UTC 2023
Edited
by admin
on Sat Dec 16 19:56:35 UTC 2023
Record UNII
KE5D5QJ3SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester
Systematic Name English
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, methyl ester
Common Name English
Code System Code Type Description
PUBCHEM
18412517
Created by admin on Sat Dec 16 19:56:35 UTC 2023 , Edited by admin on Sat Dec 16 19:56:35 UTC 2023
PRIMARY
CAS
771459-37-1
Created by admin on Sat Dec 16 19:56:35 UTC 2023 , Edited by admin on Sat Dec 16 19:56:35 UTC 2023
PRIMARY
FDA UNII
KE5D5QJ3SP
Created by admin on Sat Dec 16 19:56:35 UTC 2023 , Edited by admin on Sat Dec 16 19:56:35 UTC 2023
PRIMARY
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