[2-[1-[1-[(2R,3S)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate

Details

Stereochemistry	EPIMERIC
Molecular Formula	C35H35F2N8O5S
Molecular Weight	717.765
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of [2-[1-[1-[(2R,3S)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate

Structure Search

SMILES

CNCC(=O)OCC1=CC=CN=C1N(C)C(=O)OC(C)[N+]2=CN(C[C@@](O)([C@H](C)C3=NC(=CS3)C4=CC=C(C=C4)C#N)C5=C(F)C=CC(F)=C5)N=C2

InChI

InChIKey=RSWOJTICKMKTER-JZQJVTDKSA-N

InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-[(2R,3S)-3-[4-(4-Cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-4H-1,2,4-triazolium

Preferred Name

English

[2-[1-[1-[(2R,3S)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate

Systematic Name

English

4H-1,2,4-Triazolium, 1-[(2R,3S)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-

Systematic Name

English

Code System Code Type Description

CAS

2169911-47-9

Created by admin on Wed Apr 02 19:47:34 GMT 2025 , Edited by admin on Wed Apr 02 19:47:34 GMT 2025

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PUBCHEM

11549573

Created by admin on Wed Apr 02 19:47:34 GMT 2025 , Edited by admin on Wed Apr 02 19:47:34 GMT 2025

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FDA UNII