ChemSpider 2D Image | Apramide D | C54H82N8O8S

Apramide D

  • Molecular FormulaC54H82N8O8S
  • Average mass1003.343 Da
  • Monoisotopic mass1002.597656 Da
  • ChemSpider ID8900031

  • defined stereocentres - 8 of 8 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[(2R)-2-methyl-1-oxo-7-octyn-1-yl]amino]-1-oxopropyl]amino]-1-oxobutyl]-, (2S)- [ACD/Index Name]
Apramide D
N-Methyl-N-[(2R)-2-methyl-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-ox o-2-butanyl}(methyl)amino]-3-methyl-1-oxo-2-butanyl}-N-methyl-L-prolinamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(2R)-2-methyl-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-ox o-2-butanyl}(methyl)amino]-3-methyl-1-oxo-2-butanyl}-N-methyl-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-N-[(2R)-2-méthyl-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-ox o-2-butanyl}(méthyl)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[(2R)-2-methyl-1-oxo-7-octyn-1-yl]amino]-1-oxopropyl]amino]-1-oxobutyl]-, (2S)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455482/
N-methyl-N-[(2R)-2-methyloct-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: 1057.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 593.2±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 276.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1433.47
ACD/KOC (pH 5.5): 6318.95
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1436.88
ACD/KOC (pH 7.4): 6333.97
Polar Surface Area: 193 Å2
Polarizability: 109.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 863.5±3.0 cm3

Click to predict properties on the Chemicalize site


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