U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C36H45N7O5
Molecular Weight 655.7864
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCOC(=O)NC(=N)C1=CC=C(NCC2=NC3=CC(=CC=C3N2C)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)C=C1

InChI

InChIKey=HEJZABCHPVKGHZ-UHFFFAOYSA-N
InChI=1S/C36H45N7O5/c1-4-6-7-8-9-12-23-48-36(46)41-34(37)26-14-17-28(18-15-26)39-25-32-40-29-24-27(16-19-30(29)42(32)3)35(45)43(22-20-33(44)47-5-2)31-13-10-11-21-38-31/h10-11,13-19,21,24,39H,4-9,12,20,22-23,25H2,1-3H3,(H2,37,41,46)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[[2-[[[4-[Imino[[(octyloxy)carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
Systematic Name English
β-Alanine, N-[[2-[[[4-[imino[[(octyloxy)carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
18412347
Created by admin on Sat Dec 16 19:15:09 GMT 2023 , Edited by admin on Sat Dec 16 19:15:09 GMT 2023
PRIMARY
FDA UNII
M6JYH92LPB
Created by admin on Sat Dec 16 19:15:09 GMT 2023 , Edited by admin on Sat Dec 16 19:15:09 GMT 2023
PRIMARY
CAS
211915-07-0
Created by admin on Sat Dec 16 19:15:09 GMT 2023 , Edited by admin on Sat Dec 16 19:15:09 GMT 2023
PRIMARY