Deunirmatrelvir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32F3N5O4
Molecular Weight	501.5388
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]3CC([2H])([2H])NC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C

InChI

InChIKey=LIENCHBZNNMNKG-USGSOOCSSA-N

InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1/i7D2

HIDE SMILES / InChI

Molecular Formula	C23H32F3N5O4
Molecular Weight	501.5388
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 20:01:16 GMT 2023` Edited by `admin` on `Sat Dec 16 20:01:16 GMT 2023`
Record UNII	CC7MR4XE6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Deunirmatrelvir

Official Name

English

(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxo(5,5- <sup>16</sup>H<sub>2</sub>)pyrrolidin-3-yl]ethyl}-3-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Common Name

English

3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl-5,5-d2]ethyl]-3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, (1R,2S,5S)-

Common Name

English

deunirmatrelvir [INN]

Common Name

English

Code System Code Type Description

INN

13037

Created by admin on Sat Dec 16 20:01:17 GMT 2023 , Edited by admin on Sat Dec 16 20:01:17 GMT 2023

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PUBCHEM

168476190