ChemSpider 2D Image | N-{(2S)-2-[(3R)-3-(1H-Indol-3-ylmethyl)-2,5-dioxo-1-piperazinyl]-4-methylpentanoyl}-L-alpha-aspartyl-L-phenylalaninamide | C32H38N6O7

N-{(2S)-2-[(3R)-3-(1H-Indol-3-ylmethyl)-2,5-dioxo-1-piperazinyl]-4-methylpentanoyl}-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID34226072

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,5-dioxo-1-piperazinyl]-4-methyl-1-oxopentyl]-L-α-aspartyl- [ACD/Index Name]
N-{(2S)-2-[(3R)-3-(1H-Indol-3-ylmethyl)-2,5-dioxo-1-piperazinyl]-4-methylpentanoyl}-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(3R)-3-(1H-Indol-3-ylmethyl)-2,5-dioxo-1-piperazinyl]-4-methylpentanoyl}-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{(2S)-2-[(3R)-3-(1H-Indol-3-ylméthyl)-2,5-dioxo-1-pipérazinyl]-4-méthylpentanoyl}-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1081.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.1±3.0 kJ/mol
Flash Point: 607.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.22
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 463.6±3.0 cm3

Click to predict properties on the Chemicalize site


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