ChemSpider 2D Image | L-Phenylalanyl-N-[(2S)-1-({(2S)-6-amino-1-oxo-1-[4-(2-oxo-2,3-dihydro-1H-indol-1-yl)-1-piperidinyl]-2-hexanyl}amino)-4-methyl-1-oxo-2-pentanyl]-L-phenylalaninamide | C43H57N7O5

L-Phenylalanyl-N-[(2S)-1-({(2S)-6-amino-1-oxo-1-[4-(2-oxo-2,3-dihydro-1H-indol-1-yl)-1-piperidinyl]-2-hexanyl}amino)-4-methyl-1-oxo-2-pentanyl]-L-phenylalaninamide

  • Molecular FormulaC43H57N7O5
  • Average mass751.957 Da
  • Monoisotopic mass751.442139 Da
  • ChemSpider ID98661196

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzenepropanamide, α-amino-N-[(1S)-2-[[(1S)-1-[[[(1S)-5-amino-1-[[4-(2,3-dihydro-2-oxo-1H-indol-1-yl)-1-piperidinyl]carbonyl]pentyl]amino]carbonyl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethy l]-, (αS)- [ACD/Index Name]
L-Phenylalanyl-N-[(2S)-1-({(2S)-6-amino-1-oxo-1-[4-(2-oxo-2,3-dihydro-1H-indol-1-yl)-1-piperidinyl]-2-hexanyl}amino)-4-methyl-1-oxo-2-pentanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Phenylalanyl-N-[(2S)-1-({(2S)-6-amino-1-oxo-1-[4-(2-oxo-2,3-dihydro-1H-indol-1-yl)-1-piperidinyl]-2-hexanyl}amino)-4-methyl-1-oxo-2-pentanyl]-L-phenylalaninamide [ACD/IUPAC Name]
L-Phénylalanyl-N-[(2S)-1-({(2S)-6-amino-1-oxo-1-[4-(2-oxo-2,3-dihydro-1H-indol-1-yl)-1-pipéridinyl]-2-hexanyl}amino)-4-méthyl-1-oxo-2-pentanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1071.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 601.6±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 212.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.36
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 180 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 621.1±3.0 cm3

Click to predict properties on the Chemicalize site


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