ChemSpider 2D Image | N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[4-(hydroxymethyl)phenyl]glycinamide | C32H38N6O8

N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[4-(hydroxymethyl)phenyl]glycinamide

  • Molecular FormulaC32H38N6O8
  • Average mass634.680 Da
  • Monoisotopic mass634.275085 Da
  • ChemSpider ID114876588

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[4-(hydroxymethyl)phenyl]- [ACD/Index Name]
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[4-(hydroxymethyl)phenyl]glycinamid [German] [ACD/IUPAC Name]
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[4-(hydroxymethyl)phenyl]glycinamide [ACD/IUPAC Name]
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phénylalanyl-N-[4-(hydroxyméthyl)phényl]glycinamide [French] [ACD/IUPAC Name]
2632342-05-1 [RN]
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
Mc-Gly-Gly-Phe-Gly-PAB-OH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1108.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.7±3.0 kJ/mol
Flash Point: 624.1±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 166.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.58
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.58
Polar Surface Area: 203 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 477.8±3.0 cm3

Click to predict properties on the Chemicalize site


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