ChemSpider 2D Image | N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosyl-N~1~-(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-6-(isopropyla
mmonio)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl)aspartamide | C72H98ClN14O14

N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosyl-N1-(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-6-(isopropyla mmonio)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl)aspartamide

  • Molecular FormulaC72H98ClN14O14
  • Average mass1419.085 Da
  • Monoisotopic mass1417.705933 Da
  • ChemSpider ID21234676
  • 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-methyltyrosyl-N1-(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-6-(isopropyla ;mmonio)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl)aspartamide [ACD/IUPAC Name]
N-[2-(Acetylammonio)-3-(2-naphthyl)propanoyl]-4-chlorphenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosyl-N1-(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-6-(isopropylam 
monio)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl)aspartamid [German] [ACD/IUPAC Name]
N-[2-(Acétylammonio)-3-(2-naphtyl)propanoyl]-4-chlorophénylalanyl-3-(3-pyridinyl)alanylséryl-N-méthyltyrosyl-N1-(1-{[1-(2-{[(1-amino-1-oxo-2-propanyl)ammonio]carbonyl}-1-pyrrolidinyl)-6-(isopropylam 
monio)-1-oxo-2-hexanyl]amino}-4-méthyl-1-oxo-2-pentanyl)aspartamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 1418.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 226.3±3.0 kJ/mol
Flash Point: 811.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 28
#H bond donors: 15
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 41.15
ACD/KOC (pH 5.5): 60.79
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 463 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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