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

Details

Stereochemistry RACEMIC
Molecular Formula C34H41N7O5
Molecular Weight 627.7332
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCC(CC)OC(=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=IBGKFUGDIDLMGI-UHFFFAOYSA-N
InChI=1S/C34H41N7O5/c1-5-10-26(6-2)46-34(44)39-32(35)23-12-15-25(16-13-23)37-22-30-38-27-21-24(14-17-28(27)40(30)4)33(43)41(20-18-31(42)45-7-3)29-11-8-9-19-36-29/h8-9,11-17,19,21,26,37H,5-7,10,18,20,22H2,1-4H3,(H2,35,39,44)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[[2-[[[4-[[[(1-Ethylbutoxy)carbonyl]amino]iminomethyl]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-[[[(1-ethylbutoxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
Systematic Name English
Code System Code Type Description
CAS
1610758-22-9
Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023
PRIMARY
FDA UNII
Y5934EX576
Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023
PRIMARY
PUBCHEM
91810711
Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023
PRIMARY