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Details

Stereochemistry ACHIRAL
Molecular Formula C33H39N7O5
Molecular Weight 613.7067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (Z)-3-(1-methyl-2-(((4-(N'-((pentyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

SMILES

CCCCCOC(=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=FUBVLRONLFSMCB-UHFFFAOYSA-N
InChI=1S/C33H39N7O5/c1-4-6-9-20-45-33(43)38-31(34)23-11-14-25(15-12-23)36-22-29-37-26-21-24(13-16-27(26)39(29)3)32(42)40(19-17-30(41)44-5-2)28-10-7-8-18-35-28/h7-8,10-16,18,21,36H,4-6,9,17,19-20,22H2,1-3H3,(H2,34,38,43)

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl (Z)-3-(1-methyl-2-(((4-(N'-((pentyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
Systematic Name English
N-[[2-[[[4-[Imino[[(pentyloxy)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[[(pentyloxy)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
1416446-45-1
Created by admin on Sat Dec 16 19:35:27 GMT 2023 , Edited by admin on Sat Dec 16 19:35:27 GMT 2023
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PUBCHEM
71536325
Created by admin on Sat Dec 16 19:35:27 GMT 2023 , Edited by admin on Sat Dec 16 19:35:27 GMT 2023
PRIMARY
FDA UNII
UBW2RK7DA8
Created by admin on Sat Dec 16 19:35:27 GMT 2023 , Edited by admin on Sat Dec 16 19:35:27 GMT 2023
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