Simnotrelvir

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H30F2N4O5S
Molecular Weight	536.591
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@@H](NC(=O)C1CCCC(F)(F)C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)C(=O)NCC3=NC=CS3

InChI

InChIKey=IGYBDBUREWZAAX-OMKBGSMGSA-N

InChI=1S/C25H30F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17?,18-,19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

XIANNUOXIN COMPONENT SIMNOTRELVIR

Preferred Name

English

Simnotrelvir

Brand Name

English

SIM-0417

Code

English

N-[(1R)-2-[[(1R)-1-benzyl-2,3-dioxo-3-(thiazol-2-ylmethylamino)propyl]amino]-1-(methoxymethyl)-2-oxo-ethyl]-3,3-difluorocyclohexanecarboxamide

Systematic Name

English

SIM0417

Code

English

SSD-8432

Code

English

SSD8432

Code

English

SY-110

Code

English

Simnotrelvir [WHO-DD]

Common Name

English

N-((R)-1-(((R)-3,4-dioxo-1-phenyl-4-((thiazol-2-ylmethyl)amino)butan-2-yl)amino)-3-methoxy-1-oxopropan-2-yl)-3,3-difluorocyclohexane-1-carboxamide

Systematic Name

English

SY110

Code

English

Code System Code Type Description

FDA UNII

R4QFU2UR3K

Created by admin on Wed Apr 02 17:37:55 GMT 2025 , Edited by admin on Wed Apr 02 17:37:55 GMT 2025

PRIMARY

PUBCHEM

167312484

Created by admin on Wed Apr 02 17:37:55 GMT 2025 , Edited by admin on Wed Apr 02 17:37:55 GMT 2025

PRIMARY

ACTIVE MOIETY


					R4QFU2UR3K

Simnotrelvir