ChemSpider 2D Image | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | C50H64N8O8

N-ACETYLTRYPTOPHYL-N1-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE

  • Molecular FormulaC50H64N8O8
  • Average mass905.092 Da
  • Monoisotopic mass904.484741 Da
  • ChemSpider ID4810223

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Valinamide, N-acetyl-L-tryptophyl-N-[(1S,2S,3S)-3-[(2S)-1-[(2S)-2-[[(2S)-2-(acetylamino)-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2,3-dihydroxy-1-(phenylmethyl)propy l]- [ACD/Index Name]
N-Acetyl-L-tryptophyl-N-{(2S,3S,4S)-4-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)-2-pyrrolidinyl]-3,4-dihydroxy-1-phenyl-2-butanyl}-L-valinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-tryptophyl-N-{(2S,3S,4S)-4-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)-2-pyrrolidinyl]-3,4-dihydroxy-1-phenyl-2-butanyl}-L-valinamide [ACD/IUPAC Name]
N-Acétyl-L-tryptophyl-N-{(2S,3S,4S)-4-[(2S)-1-(N-acétyl-L-tryptophyl-L-valyl)-2-pyrrolidinyl]-3,4-dihydroxy-1-phényl-2-butanyl}-L-valinamide [French] [ACD/IUPAC Name]
N-ACETYLTRYPTOPHYL-N1-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
IPF

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1286.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 201.8±3.0 kJ/mol
Flash Point: 731.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 252.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1327.87
ACD/KOC (pH 5.5): 5982.41
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1327.87
ACD/KOC (pH 7.4): 5982.41
Polar Surface Area: 238 Å2
Polarizability: 99.9±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 711.5±3.0 cm3

Click to predict properties on the Chemicalize site


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