AVAGACESTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H17ClF4N4O4S
Molecular Weight	520.885
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)[C@@H](CCC(F)(F)F)N(CC1=CC=C(C=C1F)C2=NOC=N2)S(=O)(=O)C3=CC=C(Cl)C=C3

InChI

InChIKey=XEAOPVUAMONVLA-QGZVFWFLSA-N

InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H17ClF4N4O4S
Molecular Weight	520.885
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:46:27 UTC 2023` Edited by `admin` on `Fri Dec 15 18:46:27 UTC 2023`
Record UNII	TQ44WWY45Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVAGACESTAT

Official Name

English

AVAGACESTAT [USAN]

Common Name

English

BMS-708163-01

Code

English

(2R)-2-(N-((4-CHLOROPHENYL)SULFONYL)-N-((2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)PHENYL)METHYL)AMINO)-5,5,5-TRIFLUOROPENTANAMIDE

Systematic Name

English

BMS-708163

Code

English

PENTANAMIDE, 2-(((4-CHLOROPHENYL)SULFONYL)((2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)PHENYL)METHYL)AMINO)-5,5,5-TRIFLUORO-, (2R)-

Systematic Name

English

avagacestat [INN]

Common Name

English

BMS-70816301

Code

English

Avagacestat [WHO-DD]

Common Name

English

BMS708163

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C783