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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H40F2N8O4
Molecular Weight	674.7401
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-[[2-[[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]amino]ethyl]amino]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(NCCNC3=CC=C(OC[C@@H]4CO[C@](CN5C=NC=N5)(C4)C6=CC=C(F)C=C6F)C=C3)C=C2

InChI

InChIKey=HJDOFODAVXYYNP-ROTRBJTBSA-N

InChI=1S/C35H40F2N8O4/c1-3-33(24(2)46)45-34(47)44(23-42-45)29-9-5-27(6-10-29)39-14-15-40-28-7-11-30(12-8-28)48-18-25-17-35(49-19-25,20-43-22-38-21-41-43)31-13-4-26(36)16-32(31)37/h4-13,16,21-25,33,39-40,46H,3,14-15,17-20H2,1-2H3/t24-,25+,33-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H40F2N8O4
Molecular Weight	674.7401
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 `Sat Dec 16 19:48:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:15 GMT 2023`
Record UNII	G5ZFA8FVB2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

137397399

Created by admin on Sat Dec 16 19:48:15 GMT 2023 , Edited by admin on Sat Dec 16 19:48:15 GMT 2023

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CAS

1370190-94-5

Created by admin on Sat Dec 16 19:48:15 GMT 2023 , Edited by admin on Sat Dec 16 19:48:15 GMT 2023

PRIMARY

FDA UNII

G5ZFA8FVB2

Created by admin on Sat Dec 16 19:48:15 GMT 2023 , Edited by admin on Sat Dec 16 19:48:15 GMT 2023

PRIMARY