ChemSpider 2D Image | Methyl {(2S)-1-[(2S,4S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-4-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamate | C49H54N8O8

Methyl {(2S)-1-[(2S,4S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-4-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC49H54N8O8
  • Average mass883.002 Da
  • Monoisotopic mass882.406433 Da
  • ChemSpider ID81368244

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2S)-1-[(2S,4S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(Méthoxycarbonyl)amino]-2-phénylacétyl}-4-(méthoxyméthyl)-2-pyrrolidinyl]-1H-imidazol-5-yl}-1,11-dihydroisochroméno[4',3':6,7]naphto[1,2-d]imidazol-2-yl)-4 -méthyl-1-pyrrolidinyl]-3-méthyl-1-oxo-2-butanyl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,4S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-4-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H- imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester [ACD/Index Name]
Methyl {(2S)-1-[(2S,4S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-4-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Methyl-{(2S)-1-[(2S,4S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-4-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
1377050-50-4 [RN]

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: 1.643
Molar Refractivity: 242.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 5405.91
ACD/KOC (pH 5.5): 10138.59
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27585.60
ACD/KOC (pH 7.4): 51735.77
Polar Surface Area: 193 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 671.6±3.0 cm3

Click to predict properties on the Chemicalize site


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