2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[[[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2-formylhydrazinyl]carbonyl]amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44F2N8O5
Molecular Weight	718.7927
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[[[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2-formylhydrazinyl]carbonyl]amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N(NC=O)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(OC[C@@H]4CO[C@](CN5C=NC=N5)(C4)C6=C(F)C=C(F)C=C6)C=C3

InChI

InChIKey=UIHQOUVZZBIUHW-XAKZXMRKSA-N

InChI=1S/C37H44F2N8O5/c1-3-35(26(2)49)47(42-25-48)36(50)43-29-5-7-30(8-6-29)44-14-16-45(17-15-44)31-9-11-32(12-10-31)51-20-27-19-37(52-21-27,22-46-24-40-23-41-46)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,49H,3,14-17,19-22H2,1-2H3,(H,42,48)(H,43,50)/t26-,27+,35-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44F2N8O5
Molecular Weight	718.7927
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:29:10 GMT 2025` Edited by `admin` on `Wed Apr 02 20:29:10 GMT 2025`
Record UNII	6ZY9656YYP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[[[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2-formylhydrazinyl]carbonyl]amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Preferred Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[[[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2-formylhydrazinyl]carbonyl]amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Systematic Name

English

N-[[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]carbamoyl-[(2S,3S)-2-hydroxypentan-3-yl]amino]formamide

Systematic Name

English

Code System Code Type Description

CAS

1350560-57-4

Created by admin on Wed Apr 02 20:29:10 GMT 2025 , Edited by admin on Wed Apr 02 20:29:10 GMT 2025

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PUBCHEM

71128824

Created by admin on Wed Apr 02 20:29:10 GMT 2025 , Edited by admin on Wed Apr 02 20:29:10 GMT 2025

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FDA UNII

6ZY9656YYP

Created by admin on Wed Apr 02 20:29:10 GMT 2025 , Edited by admin on Wed Apr 02 20:29:10 GMT 2025

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