Asunaprevir metabolite M12

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H40N4O9S
Molecular Weight	572.671
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@]2(C[C@H]2[C@@H]3CO3)C(=O)NS(=O)(=O)C4CC4)C(C)(C)C

InChI

InChIKey=UGGWNPWAQFWAEZ-GVIRMJJOSA-N

InChI=1S/C25H40N4O9S/c1-23(2,3)18(26-22(34)38-24(4,5)6)20(32)29-11-13(30)9-16(29)19(31)27-25(10-15(25)17-12-37-17)21(33)28-39(35,36)14-7-8-14/h13-18,30H,7-12H2,1-6H3,(H,26,34)(H,27,31)(H,28,33)/t13-,15+,16+,17?,18-,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Asunaprevir metabolite M12

Common Name

English

tert-butyl ((S)-1-((2S,4R)-2-(((1R,2R)-1-((cyclopropylsulfonyl)carbamoyl)-2-((R)-oxiran-2-yl)cyclopropyl)carbamoyl)-4-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate

Systematic Name

English

Code System Code Type Description

PUBCHEM

166451437

Created by admin on Sat Dec 16 19:29:16 GMT 2023 , Edited by admin on Sat Dec 16 19:29:16 GMT 2023

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FDA UNII

9766M9B7KP

Created by admin on Sat Dec 16 19:29:16 GMT 2023 , Edited by admin on Sat Dec 16 19:29:16 GMT 2023

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PARENT (METABOLITE)