ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-hexanyl}-L-leucinamide | C32H49N5O7

N-[(Benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-hexanyl}-L-leucinamide

  • Molecular FormulaC32H49N5O7
  • Average mass615.761 Da
  • Monoisotopic mass615.363220 Da
  • ChemSpider ID25058759

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1R)-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]pentyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-[(2,2-Dimethylpropanoyl)amino]-L-Alanyl-N-[(1r)-4-Oxo-1-{[(3s)-2-Oxopyrrolidin-3-Yl]methyl}pentyl]-L-Leucinamide
N-[(Benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-hexanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-hexanyl}-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-[(2,2-diméthylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-hexanyl}-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 932.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 517.7±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 164.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.47
ACD/KOC (pH 5.5): 247.03
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.46
ACD/KOC (pH 7.4): 246.90
Polar Surface Area: 172 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 538.4±3.0 cm3

Click to predict properties on the Chemicalize site


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