ChemSpider 2D Image | N-{[(3S)-2,6-Dioxo-3-(D-phenylalanylamino)-1-piperidinyl]acetyl}-L-glutamic acid | C21H26N4O8

N-{[(3S)-2,6-Dioxo-3-(D-phenylalanylamino)-1-piperidinyl]acetyl}-L-glutamic acid

  • Molecular FormulaC21H26N4O8
  • Average mass462.453 Da
  • Monoisotopic mass462.175049 Da
  • ChemSpider ID25048272

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-{2-[(3S)-2,6-dioxo-3-(D-phénylalanylamino)-1-pipéridinyl]acétyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[2-[(3S)-3-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-2,6-dioxo-1-piperidinyl]acetyl]- [ACD/Index Name]
N-{[(3S)-2,6-Dioxo-3-(D-phenylalanylamino)-1-piperidinyl]acetyl}-L-glutamic acid [ACD/IUPAC Name]
N-{[(3S)-2,6-Dioxo-3-(D-phenylalanylamino)-1-piperidinyl]acetyl}-L-glutaminsäure [German] [ACD/IUPAC 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: 902.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

Click to predict properties on the Chemicalize site


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