ChemSpider 2D Image | Benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenyl-2-butanyl}amino)-1-oxo-2-propanyl]carbamate | C32H43N3O6

Benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenyl-2-butanyl}amino)-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC32H43N3O6
  • Average mass565.700 Da
  • Monoisotopic mass565.315186 Da
  • ChemSpider ID35033663
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

[(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-Formyl-2-hydroxy-4-méthylhexanoyl]amino}cyclopropyl]-4-phényl-2-butanyl}amino)-1-oxo-2-propanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenyl-2-butanyl}amino)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
Benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-Formyl-2-Hydroxy-4-Methylhexanoyl]amino}cyclopropyl]-4-Phenylbutan-2-Yl}amino)-1-Oxopropan-2-Yl]carbamate
Benzyl-[(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenyl-2-butanyl}amino)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(1R)-1-[[(1S,2S)-2-[[(2R,3S,4S)-3-formyl-2-hydroxy-4-methyl-1-oxohexyl]amino]cyclopropyl]methyl]-3-phenylpropyl]amino]-1-methyl-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.80
ACD/KOC (pH 5.5): 3497.73
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.61
ACD/KOC (pH 7.4): 3496.65
Polar Surface Area: 134 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 473.5±5.0 cm3

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