Descyano Nirmatrelvir Acetamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34F3N5O5
Molecular Weight	517.5418
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Descyano Nirmatrelvir Acetamide

Structure Search

SMILES

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

InChI

InChIKey=OOGWLUVPYYAXCE-WCBJTDJXSA-N

InChI=1S/C23H34F3N5O5/c1-21(2,3)15(30-20(36)23(24,25)26)19(35)31-9-11-13(22(11,4)5)14(31)18(34)29-12(16(27)32)8-10-6-7-28-17(10)33/h10-15H,6-9H2,1-5H3,(H2,27,32)(H,28,33)(H,29,34)(H,30,36)/t10-,11-,12-,13-,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H34F3N5O5
Molecular Weight	517.5418
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 19:20:59 GMT 2023` Edited by `admin` on `Sat Dec 16 19:20:59 GMT 2023`
Record UNII	XD8R59CBZ9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Descyano Nirmatrelvir Acetamide

Common Name

English

(1R,2S,5S)-N-[(2S)-1-Amino-1-oxo-3-((3S)-2-oxopyrrolidin-3-yl)propan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

2755812-81-6

Created by admin on Sat Dec 16 19:20:59 GMT 2023 , Edited by admin on Sat Dec 16 19:20:59 GMT 2023

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FDA UNII

XD8R59CBZ9

Created by admin on Sat Dec 16 19:20:59 GMT 2023 , Edited by admin on Sat Dec 16 19:20:59 GMT 2023

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PUBCHEM

163421961

Created by admin on Sat Dec 16 19:20:59 GMT 2023 , Edited by admin on Sat Dec 16 19:20:59 GMT 2023

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