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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H37N7O5
Molecular Weight	599.6801
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CCCCOC(=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=WJPQOZUUJHIDCH-UHFFFAOYSA-N

InChI=1S/C32H37N7O5/c1-4-6-19-44-32(42)37-30(33)22-10-13-24(14-11-22)35-21-28-36-25-20-23(12-15-26(25)38(28)3)31(41)39(18-16-29(40)43-5-2)27-9-7-8-17-34-27/h7-15,17,20,35H,4-6,16,18-19,21H2,1-3H3,(H2,33,37,42)

HIDE SMILES / InChI

Molecular Formula	C32H37N7O5
Molecular Weight	599.6801
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 19:22:29 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:29 GMT 2023`
Record UNII	TEK2CL4MDT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[[2-[[[4-[[(Butoxycarbonyl)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-[[(butoxycarbonyl)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

FDA UNII

TEK2CL4MDT

Created by admin on Sat Dec 16 19:22:29 GMT 2023 , Edited by admin on Sat Dec 16 19:22:29 GMT 2023

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CAS

1416446-43-9

Created by admin on Sat Dec 16 19:22:29 GMT 2023 , Edited by admin on Sat Dec 16 19:22:29 GMT 2023

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PUBCHEM

118880211

Created by admin on Sat Dec 16 19:22:29 GMT 2023 , Edited by admin on Sat Dec 16 19:22:29 GMT 2023

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