ChemSpider 2D Image | alpha-Aspartylmethionylhistidyl-alpha-aspartylphenylalanylphenylalanylvalylglycylleucylmethioninamide | C55H79N13O14S2

α-Aspartylmethionylhistidyl-α-aspartylphenylalanylphenylalanylvalylglycylleucylmethioninamide

  • Molecular FormulaC55H79N13O14S2
  • Average mass1210.425 Da
  • Monoisotopic mass1209.531128 Da
  • ChemSpider ID50190

More details:

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

Methioninamide, α-aspartylmethionylhistidyl-α-aspartylphenylalanylphenylalanylvalylglycylleucyl- [ACD/Index Name]
α-Asparagylmethionylhistidyl-α-asparagylphenylalanylphenylalanylvalylglycylleucylmethioninamid [German] [ACD/IUPAC Name]
α-Aspartylmethionylhistidyl-α-aspartylphenylalanylphenylalanylvalylglycylleucylmethioninamide [ACD/IUPAC Name]
α-Aspartylméthionylhistidyl-α-aspartylphénylalanylphénylalanylvalylglycylleucylméthioninamide [French] [ACD/IUPAC Name]
3-amino-3-({1-[(1-{[1-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl)carbamoyl]-3-(methylsulfanyl)propyl}carbamoyl)propanoic acid
86933-75-7 [RN]
neuromedin K

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

N4143_SIGMA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1646.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 271.4±3.0 kJ/mol
Flash Point: 949.3±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 311.7±0.3 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 485 Å2
Polarizability: 123.6±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

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