ChemSpider 2D Image | N-{(3R)-1-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxo-3-pyrrolidinyl}-N~2~-[(4-pyridinylmethoxy)carbonyl]-L-leucinamide | C31H43N5O6

N-{(3R)-1-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxo-3-pyrrolidinyl}-N2-[(4-pyridinylmethoxy)carbonyl]-L-leucinamide

  • Molecular FormulaC31H43N5O6
  • Average mass581.703 Da
  • Monoisotopic mass581.321350 Da
  • ChemSpider ID4450761
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n
Carbamic acid, N-[(1S)-3-methyl-1-[[(3R)-3-[[(2S)-4-methyl-1-oxo-2-[[(4-pyridinylmethoxy)carbonyl]amino]pentyl]amino]-4-oxo-1-pyrrolidinyl]methyl]butyl]-, phenylmethyl ester [ACD/Index Name]
N-{(3R)-1-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxo-3-pyrrolidinyl}-N2-[(4-pyridinylmethoxy)carbonyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-{(3R)-1-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxo-3-pyrrolidinyl}-N2-[(4-pyridinylmethoxy)carbonyl]-L-leucinamide [ACD/IUPAC Name]
N-{(3R)-1-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-méthylpentyl]-4-oxo-3-pyrrolidinyl}-N2-[(4-pyridinylméthoxy)carbonyl]-L-leucinamide [French] [ACD/IUPAC Name]
INP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 800.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 438.0±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 73.17
ACD/KOC (pH 5.5): 632.38
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.09
ACD/KOC (pH 7.4): 1150.20
Polar Surface Area: 139 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 480.0±5.0 cm3

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