ChemSpider 2D Image | 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-N-(3-{[(2S)-1-({(2S)-5-[(diaminomethylene)amino]-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}- 3-pentanyl)-L-tyrosinamide | C59H84N16O12

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-N-(3-{[(2S)-1-({(2S)-5-[(diaminomethylene)amino]-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}- 3-pentanyl)-L-tyrosinamide

  • Molecular FormulaC59H84N16O12
  • Average mass1209.398 Da
  • Monoisotopic mass1208.645508 Da
  • ChemSpider ID9832940

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-N-(3-{[(2S)-1-({(2S)-5-[(diaminomethylen)amino]-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-3 -pentanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-N-(3-{[(2S)-1-({(2S)-5-[(diaminomethylene)amino]-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}- 3-pentanyl)-L-tyrosinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-séryl-N-(3-{[(2S)-1-({(2S)-5-[(diaminométhylène)amino]-1-[(2S)-2-(éthylcarbamoyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}amino)-4-méthyl-1-oxo-2-pentanyl]carbamoyl}- 3-pentanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
L-Tyrosinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-N-[1-[[[(1S)-1-[[[(1S)-4-[(diaminomethylene)amino]-1-[[(2S)-2-[(ethylamino)carbonyl]-1-pyrrolidinyl]carbonyl]butyl]amino]carbonyl]-3-meth ylbutyl]amino]carbonyl]-1-ethylpropyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 316.5±0.5 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 432 Å2
Polarizability: 125.5±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 839.9±7.0 cm3

Click to predict properties on the Chemicalize site


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