ChemSpider 2D Image | Methyl N-({(1S,2R,3R)-3-hydroxy-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]cyclopentyl}acetyl)-L-leucinate | C28H43N3O7

Methyl N-({(1S,2R,3R)-3-hydroxy-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]cyclopentyl}acetyl)-L-leucinate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID9975105

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Leucine, N-[2-[(1S,2R,3R)-2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxycyclopentyl]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-({(1S,2R,3R)-3-hydroxy-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]cyclopentyl}acetyl)-L-leucinate [ACD/IUPAC Name]
Methyl-N-({(1S,2R,3R)-3-hydroxy-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]cyclopentyl}acetyl)-L-leucinat [German] [ACD/IUPAC Name]
N-(2-{(1S,2R,3R)-3-Hydroxy-2-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)amino]cyclopentyl}acétyl)-L-leucinate de méthyle [French] [ACD/IUPAC Name]
L-Leucine, N-[[(1S,2R,3R)-2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxycyclopentyl]acetyl]-, methyl ester

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

AIDS345483 [DBID]
AIDS-345483 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.54
ACD/KOC (pH 5.5): 847.79
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.53
ACD/KOC (pH 7.4): 847.60
Polar Surface Area: 143 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 453.0±5.0 cm3

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