ChemSpider 2D Image | Apramide E | C53H80N8O8S

Apramide E

  • Molecular FormulaC53H80N8O8S
  • Average mass989.316 Da
  • Monoisotopic mass988.581970 Da
  • ChemSpider ID8971346

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(1S)-1-[[[(1S)-1-[[[(1S)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-[(2S)-2-(2-thiazolyl)-1-pyrrolidinyl]ethyl]methylamino]carbonyl]-2-methylpropyl]methylamino]carbonyl]-2-methyl propyl]-N-methyl-1-[(2S)-3-methyl-2-[methyl[(2S)-2-[methyl(1-oxo-7-octyn-1-yl)amino]-1-oxopropyl]amino]-1-oxobutyl]-, (2S)- [ACD/Index Name]
Apramide E
N-Methyl-N-(7-octynoyl)-L-alanyl-N-methyl-L-valyl-N-{(2S)-1-[{(2S)-1-[{(2S)-3-(4-methoxyphenyl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-propanyl}(methyl)amino]-3-methyl-1-oxo-2-butanyl}(m ethyl)amino]-3-methyl-1-oxo-2-butanyl}-N-methyl-L-prolinamid [German] [ACD/IUPAC Name]
N-Methyl-N-(7-octynoyl)-L-alanyl-N-methyl-L-valyl-N-{(2S)-1-[{(2S)-1-[{(2S)-3-(4-methoxyphenyl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-propanyl}(methyl)amino]-3-methyl-1-oxo-2-butanyl}(m ethyl)amino]-3-methyl-1-oxo-2-butanyl}-N-methyl-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-N-(7-octynoyl)-L-alanyl-N-méthyl-L-valyl-N-{(2S)-1-[{(2S)-1-[{(2S)-3-(4-méthoxyphényl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-propanyl}(méthyl)amino]-3-méthyl-1-oxo-2-butanyl}(m éthyl)amino]-3-méthyl-1-oxo-2-butanyl}-N-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-pyrrolidinecarboxamide, N-[(1S)-1-[[[(1S)-1-[[[(1S)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-[(2S)-2-(2-thiazolyl)-1-pyrrolidinyl]ethyl]methylamino]carbonyl]-2-methylpropyl]methylamino]carbonyl]-2-methylpropyl]-N-methyl-1-[(2S)-3-methyl-2-[methyl[(2S)-2-[methyl(1-oxo-7-octyn-1-yl)amino]-1-oxopropyl]amino]-1-oxobutyl]-, (2S)-
N-methyl-N-(oct-7-ynoyl)-L-alanyl-N-methyl-L-valyl-N-{(2S)-1-[{(2S)-1-[{(2S)-3-(4-methoxyphenyl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-2-yl}(methyl)amino]-3-methyl-1-oxobutan-2-yl}(methyl)amino]-3-methyl-1-oxobutan-2-yl}-N-methyl-L-prolinamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1054.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.7±3.0 kJ/mol
Flash Point: 591.6±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 272.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1088.41
ACD/KOC (pH 5.5): 5188.48
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1091.00
ACD/KOC (pH 7.4): 5200.81
Polar Surface Area: 193 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 846.6±3.0 cm3

Click to predict properties on the Chemicalize site


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