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Telaprevir

Molecular FormulaC₃₆H₅₃N₇O₆
Average mass679.849 Da
Monoisotopic mass679.405762 Da
ChemSpider ID2279948

- 6 of 6 defined stereocentres

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrol-1-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]

(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e (non-preferred name) [ACD/IUPAC Name]

(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acétyl}amino)-3,3-diméthylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e (non-preferred name) [French] [ACD/IUPAC Name]

402957-28-2 [RN]

Incivek [Trade name]

Incivo [Trade name]

telaprevir [Spanish] [INN]

Telaprevir [INN] [USAN] [Wiki]

télaprévir [French] [INN]

telaprevirum [Latin] [INN]

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телапревир [Russian] [INN]

تيلابريفير [Arabic] [INN]

替拉瑞韦 [Chinese] [INN]

(1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-

(1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide

(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide

(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide

(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxami

(1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide

(1S,3aR,6aS)-N-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide

(3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide

(3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-[(pyrazin-2-yl)formamido]acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide

(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

[402957-28-2] [RN]

Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)-

Cyclopenta[c]pyrrole-1-carboxamide [ACD/Index Name] [ACD/IUPAC Name]

MFCD11616089 [MDL number]

Telaprevir (VX-950)

telaprevir labeled d4

Telaprevir VX950

telaprevir(vx950)

Telaprevir(VX-950)

Telaprevir-d4

Untitled Document

VRT111950

VX950

VX-950; VX950;VX 950

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

655M5O3W0U [DBID]

8686 [DBID]

LY-570310 [DBID]

VX-950 [DBID]

AIDS213006 [DBID]

AIDS-213006 [DBID]

MP-424 [DBID]

UNII:655M5O3W0U [DBID]

VX 950 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.584
Molar Refractivity:	181.4±0.4 cm³
#H bond acceptors:	13
#H bond donors:	4
#Freely Rotating Bonds:	14
#Rule of 5 Violations:	2

ACD/LogP:	3.93
ACD/LogD (pH 5.5):	3.20
ACD/BCF (pH 5.5):	159.94
ACD/KOC (pH 5.5):	1315.00
ACD/LogD (pH 7.4):	3.20
ACD/BCF (pH 7.4):	159.94
ACD/KOC (pH 7.4):	1314.96
Polar Surface Area:	180 Å²
Polarizability:	71.9±0.5 10^-24cm³
Surface Tension:	60.1±5.0 dyne/cm
Molar Volume:	542.0±5.0 cm³

Click to predict properties on the Chemicalize site

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Telaprevir

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