Molecules/Glecaprevir

Glecaprevir

(1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

C38H46F4N6O9S838.90 g/molCID 66828839

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Molecular Identity

Glecaprevir

PubChem CID: 66828839

2D Structure

Properties

C₃₈H₄₆F₄N₆O₉S

Molecular Formula

838.90

Molecular Weight

g/mol

838.2983

Exact Mass

4.6

XLogP

Drug-like (Lipinski: < 5)

204

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1760

Complexity

SMILES

Canonical SMILES

SMILES: CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5OCC=CC(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C

Isomeric SMILES

SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C

Synonyms(20)

Glecaprevir1365970-03-1ABT-493MaviretK6BUU8J72PA-1282576.0A-1282576A-12825760DTXSID901027945(1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamideglecaprevirum(1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-((1R,2R)-2-(difluoromethyl)-1-((1-methylcyclopropyl)sulfonylcarbamoyl)cyclopropyl)-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo(26.2.1.03,12.05,10.018,22)hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamideRefChem:663069DTXCID101513512Glecaprevir [USAN]

Data from PubChem (NCBI)

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Molecular Structure

Glecaprevir

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Source: PubChem

Drug Network

Trials and conditions connected to Glecaprevir

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