ChemSpider 2D Image | PL017 | C29H37N5O5

PL017

  • Molecular FormulaC29H37N5O5
  • Average mass535.635 Da
  • Monoisotopic mass535.279480 Da
  • ChemSpider ID103184
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

83397-56-2 [RN]
D-Prolinamide, L-tyrosyl-L-prolyl-N-methyl-L-phenylalanyl- [ACD/Index Name]
L-Tyrosyl-L-prolyl-N-methyl-L-phenylalanyl-D-prolinamid [German] [ACD/IUPAC Name]
L-Tyrosyl-L-prolyl-N-methyl-L-phenylalanyl-D-prolinamide [ACD/IUPAC Name]
L-Tyrosyl-L-prolyl-N-méthyl-L-phénylalanyl-D-prolinamide [French] [ACD/IUPAC Name]
PL017
(2R)-1-[(2S)-2-{1-[(2S)-1-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]PYRROLIDIN-2-YL]-N-METHYLFORMAMIDO}-3-PHENYLPROPANOYL]PYRROLIDINE-2-CARBOXAMIDE
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide
(N-Me-Phe3,D-Pro4)-??-Casomorphin (1-4) amide (bovine)
(N-Me-Phe3,D-Pro4)-β-Casomorphin (1-4) amide (bovine)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PL 017 [DBID]
PL 17 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 878.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 485.1±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 22.13
Polar Surface Area: 150 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

Click to predict properties on the Chemicalize site






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