ChemSpider 2D Image | N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-{1-[(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-5-{[ammonio(imino)methyl]ami no}-1-oxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-5-[(ammoniocarbonyl)amino]-1-oxo-2-pentanyl}tyrosinamide | C70H96ClN17O14

N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-{1-[(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-5-{[ammonio(imino)methyl]ami no}-1-oxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-5-[(ammoniocarbonyl)amino]-1-oxo-2-pentanyl}tyrosinamide

  • Molecular FormulaC70H96ClN17O14
  • Average mass1435.068 Da
  • Monoisotopic mass1433.698975 Da
  • ChemSpider ID21234362

  • Charge - Charge

More details:

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

N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-{1-[(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-5-{[ammonio(imino)methyl]ami no}-1-oxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-5-[(ammoniocarbonyl)amino]-1-oxo-2-pentanyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorphenylalanyl-3-(3-pyridinyl)alanylseryl-N-{1-[(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-5-{[ammonio(imino)methyl]amin o}-1-oxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-5-[(ammoniocarbonyl)amino]-1-oxo-2-pentanyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Acétylammonio)-3-(2-naphtyl)propanoyl]-4-chlorophénylalanyl-3-(3-pyridinyl)alanylséryl-N-{1-[(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-5-{[ammonio(imino)méthyl]amin o}-1-oxo-2-pentanyl]amino}-4-méthyl-1-oxo-2-pentanyl)amino]-5-[(ammoniocarbonyl)amino]-1-oxo-2-pentanyl}tyrosinamide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 1459.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 234.2±3.0 kJ/mol
Flash Point: 836.5±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 9.28
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 11.31
ACD/KOC (pH 5.5): 31.96
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 536 Å2
Polarizability:
Surface Tension:
Molar Volume:

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