ChemSpider 2D Image | L-alpha-Glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-L-leucinamide | C33H47N5O7

L-α-Glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-L-leucinamide

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID23134108

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Leucinamide, L-α-glutamyl-L-valyl-N-[(1S,2R)-2-hydroxy-3-oxo-1-(phenylmethyl)-3-[(phenylmethyl)amino]propyl]- [ACD/Index Name]
L-α-Glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
L-α-Glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
L-α-Glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phényl-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
L-α-glutamyl-L-valyl-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-L-leucinamide
(1S,4S)-4-Amino-4-{1-[(S)-1-((S)-1-benzyl-2-benzylcarbamoyl-2-hydroxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 997.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.4±3.0 kJ/mol
Flash Point: 557.1±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.28
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 518.8±3.0 cm3

Click to predict properties on the Chemicalize site


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