Ethyl (Z)-3-(2-(((4-(N'-((heptyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H43N7O5
Molecular Weight	641.7598
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CCCCCCCOC(=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=WGFIENJMSCAXOG-UHFFFAOYSA-N

InChI=1S/C35H43N7O5/c1-4-6-7-8-11-22-47-35(45)40-33(36)25-13-16-27(17-14-25)38-24-31-39-28-23-26(15-18-29(28)41(31)3)34(44)42(21-19-32(43)46-5-2)30-12-9-10-20-37-30/h9-10,12-18,20,23,38H,4-8,11,19,21-22,24H2,1-3H3,(H2,36,40,45)

HIDE SMILES / InChI

Molecular Formula	C35H43N7O5
Molecular Weight	641.7598
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 19:48:13 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:13 GMT 2023`
Record UNII	5VE4XA73RQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (Z)-3-(2-(((4-(N'-((heptyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

Systematic Name

English

β-Alanine, N-[[2-[[[4-[[[(heptyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester

Systematic Name

English

N-[[2-[[[4-[[[(Heptyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

5VE4XA73RQ

Created by admin on Sat Dec 16 19:48:14 GMT 2023 , Edited by admin on Sat Dec 16 19:48:14 GMT 2023

PRIMARY

PUBCHEM

90058607

Created by admin on Sat Dec 16 19:48:14 GMT 2023 , Edited by admin on Sat Dec 16 19:48:14 GMT 2023

PRIMARY

CAS

1349500-09-9

Created by admin on Sat Dec 16 19:48:14 GMT 2023 , Edited by admin on Sat Dec 16 19:48:14 GMT 2023

PRIMARY

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