(S)-4-AMINO-3-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-2,2-DIMETHYL-4-OXOBUTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21FN4O4
Molecular Weight	412.4142
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-4-AMINO-3-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-2,2-DIMETHYL-4-OXOBUTANOIC ACID

Structure Search

SMILES

CC(C)([C@H](NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)C(N)=O)C(O)=O

InChI

InChIKey=FZESHSPLDODKSC-QGZVFWFLSA-N

InChI=1S/C21H21FN4O4/c1-21(2,20(29)30)17(18(23)27)24-19(28)16-14-5-3-4-6-15(14)26(25-16)11-12-7-9-13(22)10-8-12/h3-10,17H,11H2,1-2H3,(H2,23,27)(H,24,28)(H,29,30)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H21FN4O4
Molecular Weight	412.4142
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 `Sat Dec 16 18:57:10 GMT 2023` Edited by `admin` on `Sat Dec 16 18:57:10 GMT 2023`
Record UNII	NH5C7VB7CH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-4-AMINO-3-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-2,2-DIMETHYL-4-OXOBUTANOIC ACID

Systematic Name

English

ADB-FUBINACA METABOLITE M17

Common Name

English

Code System Code Type Description

FDA UNII

NH5C7VB7CH

Created by admin on Sat Dec 16 18:57:10 GMT 2023 , Edited by admin on Sat Dec 16 18:57:10 GMT 2023

PRIMARY

PUBCHEM

155923013

Created by admin on Sat Dec 16 18:57:10 GMT 2023 , Edited by admin on Sat Dec 16 18:57:10 GMT 2023

PRIMARY

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IN VITRO

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