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

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

Structure Search

SMILES

CCCC(CC)OC(=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=IBGKFUGDIDLMGI-UHFFFAOYSA-N

InChI=1S/C34H41N7O5/c1-5-10-26(6-2)46-34(44)39-32(35)23-12-15-25(16-13-23)37-22-30-38-27-21-24(14-17-28(27)40(30)4)33(43)41(20-18-31(42)45-7-3)29-11-8-9-19-36-29/h8-9,11-17,19,21,26,37H,5-7,10,18,20,22H2,1-4H3,(H2,35,39,44)

HIDE SMILES / InChI

Molecular Formula	C34H41N7O5
Molecular Weight	627.7332
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:13:10 GMT 2023` Edited by `admin` on `Sat Dec 16 19:13:10 GMT 2023`
Record UNII	Y5934EX576
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[[2-[[[4-[[[(1-Ethylbutoxy)carbonyl]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-[[[(1-ethylbutoxy)carbonyl]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

CAS

1610758-22-9

Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023

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FDA UNII

Y5934EX576

Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023

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PUBCHEM

91810711

Created by admin on Sat Dec 16 19:13:10 GMT 2023 , Edited by admin on Sat Dec 16 19:13:10 GMT 2023

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