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

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

Structure Search

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

Molecular Formula	C36H45N7O5
Molecular Weight	655.7864
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 19:15:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:15:09 GMT 2023`
Record UNII	M6JYH92LPB
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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