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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-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

SMILES

CCOC(=O)CCN(C(=O)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(=N)NC(=O)OCCC(C)CC)=NC2=C1)C4=CC=CC=N4

InChI

InChIKey=QHCXHSUVHKBNAE-UHFFFAOYSA-N
InChI=1S/C34H41N7O5/c1-5-23(3)17-20-46-34(44)39-32(35)24-10-13-26(14-11-24)37-22-30-38-27-21-25(12-15-28(27)40(30)4)33(43)41(19-16-31(42)45-6-2)29-9-7-8-18-36-29/h7-15,18,21,23,37H,5-6,16-17,19-20,22H2,1-4H3,(H2,35,39,44)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]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[[[(3-methylpentyl)oxy]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
CAS
2225986-94-5
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
FDA UNII
RFS2QD5J2T
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
PUBCHEM
165429074
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY