Nirmatrelvir metabolite M8

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H33N5O3
Molecular Weight	403.5184
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](N)C(C)(C)C

InChI

InChIKey=UGRNCGFEVATDJG-OJFNHCPVSA-N

InChI=1S/C21H33N5O3/c1-20(2,3)16(23)19(29)26-10-13-14(21(13,4)5)15(26)18(28)25-12(9-22)8-11-6-7-24-17(11)27/h11-16H,6-8,10,23H2,1-5H3,(H,24,27)(H,25,28)/t11-,12-,13-,14-,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H33N5O3
Molecular Weight	403.5184
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:07:15 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:15 GMT 2023`
Record UNII	PF7Z2TG76Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nirmatrelvir metabolite M8

Common Name

English

3-Azabicyclo[3.1.0]hexane-2-carboxamide, 3-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-6,6-dimethyl-, (1R,2S,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

167481489

Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023

PRIMARY

CAS

2883654-28-0

Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023

PRIMARY

FDA UNII

PF7Z2TG76Y

Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023

PRIMARY

Related Record Type Details


					7R9A5P7H32

Nirmatrelvir

PARENT -> METABOLITE

Amount: