AS-3226882

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22N2O5
Molecular Weight	382.4098
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)NC[C@H]1CN(C[C@@H]1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(O)=O

InChI

InChIKey=YBDKESGLOHTDJR-PKOBYXMFSA-N

InChI=1S/C21H22N2O5/c1-14(24)22-11-17-12-23(13-19(17)15-5-3-2-4-6-15)21(27)28-18-9-7-16(8-10-18)20(25)26/h2-10,17,19H,11-13H2,1H3,(H,22,24)(H,25,26)/t17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22N2O5
Molecular Weight	382.4098
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:44:47 GMT 2025` Edited by `admin` on `Wed Apr 02 18:44:47 GMT 2025`
Record UNII	GT4V67NN72
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AS-3226882

Code

English

AS3226882

Preferred Name

English

4-[(3S,4S)-3-(Acetylaminomethyl)-4-phenylpyrrolidin-1-ylcarbonyloxy]benzoic acid

Systematic Name

English

ASP7991 metabolite M1

Code

English

ASP-7991 metabolite M1

Code

English

Code System Code Type Description

FDA UNII

GT4V67NN72

Created by admin on Wed Apr 02 18:44:47 GMT 2025 , Edited by admin on Wed Apr 02 18:44:47 GMT 2025

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ASP-7991

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Amount: