ChemSpider 2D Image | L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-3-methyl-L-valyl-L-methionyl-L-alpha-asparagine | C44H62N10O10S2

L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-3-methyl-L-valyl-L-methionyl-L-α-asparagine

  • Molecular FormulaC44H62N10O10S2
  • Average mass955.154 Da
  • Monoisotopic mass954.409180 Da
  • ChemSpider ID8209419

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-3-methyl-L-valyl-L-methionyl-L-α-asparagin [German] [ACD/IUPAC Name]
L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-3-methyl-L-valyl-L-methionyl-L-α-asparagine [ACD/IUPAC Name]
L-Tyrosyl-D-méthionyl-L-phénylalanyl-L-histidyl-3-méthyl-L-valyl-L-méthionyl-L-α-asparagine [French] [ACD/IUPAC Name]
L-α-asparagine, L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-3-methyl-L-valyl-L-methionyl- [ACD/Index Name]
3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL424631/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1420.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 226.8±3.0 kJ/mol
Flash Point: 813.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 250.4±0.3 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 381 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 724.7±3.0 cm3

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