Jump to main content Jump to site nav

Visit the new version of ChemSpider

Try beta.chemspider

$ChemSpider 2D Image | Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(~13~C)methyl(~13~C_4_)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(~13~C) methyl-1-oxo(~13~C_4_)-2-butanyl]carbamate | C3013C10H50N8O6$

Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(¹³C)methyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C) methyl-1-oxo(¹³C₄)-2-butanyl]carbamate

Molecular FormulaC₃₀¹³C₁₀H₅₀N₈O₆
Average mass Da
Monoisotopic mass Da
ChemSpider ID52082844

- 4 of 4 defined stereocentres
- Non-standard isotope

More details:

Names and Synonyms

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

[(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(Méthoxycarbonyl)amino]-3-(¹³C)méthyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphénylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C)méthyl- 1-oxo(¹³C₄)-2-butanyl]carbamate de méthyle [French] [ACD/IUPAC Name]

Carbamic acid, N-[(1S)-1-[[(2S)-2-[4-[4'-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(methyl-¹³C)-1-oxobutyl-1,2,3,4-¹³C₄]-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2- yl]-1-pyrrolidinyl]oxomethyl-¹³C]-2-(methyl-¹³C)propyl-1,2,3-¹³C₃]-, methyl ester [ACD/Index Name]

Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(¹³C)methyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C) methyl-1-oxo(¹³C₄)-2-butanyl]carbamate [ACD/IUPAC Name]

Methyl-[(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(¹³C)methyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C) methyl-1-oxo(¹³C₄)-2-butanyl]carbamat [German] [ACD/IUPAC Name]

Daclatasvir-¹³C₁₀

Predicted - ACD/Labs
Predicted - ChemAxon

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(¹³C)methyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C) methyl-1-oxo(¹³C₄)-2-butanyl]carbamate

More details:

Search ChemSpider:

Search Google:

Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(13C)methyl(13C4)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(13C) methyl-1-oxo(13C4)-2-butanyl]carbamate

More details:

Search ChemSpider:

Search Google:

Methyl [(2S)-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-(¹³C)methyl(¹³C₄)butanoyl]-2-pyrrolidinyl}-1H-imidazol-4-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-(¹³C) methyl-1-oxo(¹³C₄)-2-butanyl]carbamate