N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]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-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Structure Search

SMILES

CCOC(=O)CCN(C(=O)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(=N)NC(=O)OCCC(C)CC)=NC2=C1)C4=CC=CC=N4

InChI

InChIKey=QHCXHSUVHKBNAE-UHFFFAOYSA-N

InChI=1S/C34H41N7O5/c1-5-23(3)17-20-46-34(44)39-32(35)24-10-13-26(14-11-24)37-22-30-38-27-21-25(12-15-28(27)40(30)4)33(43)41(19-16-31(42)45-6-2)29-9-7-8-18-36-29/h7-15,18,21,23,37H,5-6,16-17,19-20,22H2,1-4H3,(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 19:13:11 GMT 2023` Edited by `admin` on `Sat Dec 16 19:13:11 GMT 2023`
Record UNII	RFS2QD5J2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]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[[[(3-methylpentyl)oxy]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

2225986-94-5

Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023

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FDA UNII

RFS2QD5J2T

Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023

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PUBCHEM

165429074

Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023

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