ChemSpider 2D Image | 5-Oxo-L-prolyl-L-phenylalanyl-N-(4-nitrophenyl)-L-leucinamide | C26H31N5O6

5-Oxo-L-prolyl-L-phenylalanyl-N-(4-nitrophenyl)-L-leucinamide

  • Molecular FormulaC26H31N5O6
  • Average mass509.554 Da
  • Monoisotopic mass509.227448 Da
  • ChemSpider ID119056
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

5-Oxo-L-prolyl-L-phenylalanyl-N-(4-nitrophenyl)-L-leucinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-phenylalanyl-N-(4-nitrophenyl)-L-leucinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-phénylalanyl-N-(4-nitrophényl)-L-leucinamide [French] [ACD/IUPAC Name]
L-Leucinamide, 5-oxo-L-prolyl-L-phenylalanyl-N-(4-nitrophenyl)- [ACD/Index Name]
(2S)-4-METHYL-N-(4-NITROPHENYL)-2-[(2S)-2-{[(2S)-5-OXOPYRROLIDIN-2-YL]FORMAMIDO}-3-PHENYLPROPANAMIDO]PENTANAMIDE
(S)-N-((S)-1-(((S)-4-methyl-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-5-oxopyrrolidine-2-carboxamide
85901-57-1 [RN]
Pglu-phe-leu-pna
Pyroglutamyl-phenylalanyl-leucine-4-nitroanilide
PYR-PHE-LEU-PNA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 916.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 508.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.57
ACD/KOC (pH 5.5): 303.13
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.57
ACD/KOC (pH 7.4): 303.13
Polar Surface Area: 162 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 393.9±3.0 cm3

Click to predict properties on the Chemicalize site






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