ChemSpider 2D Image | N-[(1S)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-se ryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-alpha-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threoninamide | C153H225N43O49S

N-[(1S)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-se ryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-α-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threoninamide

  • Molecular FormulaC153H225N43O49S
  • Average mass3482.747 Da
  • Monoisotopic mass3480.615723 Da
  • ChemSpider ID25059406

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

L-Threoninamide, N-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-al pha-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-α-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl- [ACD/Index Name]
N-[(1S)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-asparagyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-α-asparagyl-L- seryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-α-asparagyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threoninamid [German] [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-se ryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-α-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threoninamide [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-2-(1H-imidazol-4-yl)éthyl]-L-séryl-L-glutaminylglycyl-L-thréonyl-L-phénylalanyl-L-thréonyl-L-séryl-L-α-aspartyl-L-tyrosyl-L-séryl-L-lysyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-sé ryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-α-aspartyl-L-phénylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-méthionyl-L-asparaginyl-L-thréoninamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 857.4±0.5 cm3
#H bond acceptors: 92
#H bond donors: 63
#Freely Rotating Bonds: 116
#Rule of 5 Violations: 3
ACD/LogP: -5.44
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1564 Å2
Polarizability: 339.9±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 2263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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