Asunaprevir metabolite M8

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H41ClN4O8
Molecular Weight	645.143
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)C4=C1C=CC(Cl)=C4

InChI

InChIKey=FJEHWMLXYSFPBD-YJTAAIAXSA-N

InChI=1S/C32H41ClN4O8/c1-9-17-14-32(17,28(40)41)36-25(38)22-13-19(44-26-21-12-18(33)10-11-20(21)23(43-8)15-34-26)16-37(22)27(39)24(30(2,3)4)35-29(42)45-31(5,6)7/h9-12,15,17,19,22,24H,1,13-14,16H2,2-8H3,(H,35,42)(H,36,38)(H,40,41)/t17-,19-,22+,24-,32-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Asunaprevir metabolite M8

Common Name

English

(1R,2S)-1-((2S,4R)-1-((S)-2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoyl)-4-((7-chloro-4-methoxyisoquinolin-1-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

HFP3LEB9NU

Created by admin on Sat Dec 16 19:32:50 GMT 2023 , Edited by admin on Sat Dec 16 19:32:50 GMT 2023

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PUBCHEM

166451458

Created by admin on Sat Dec 16 19:32:50 GMT 2023 , Edited by admin on Sat Dec 16 19:32:50 GMT 2023

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PARENT (METABOLITE)