ChemSpider 2D Image | Methyl N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-{[N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-fur anyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)valyl]amino}tetrahydro-3-furanyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)-L-valinate | C70H88Br4N8O15

Methyl N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-{[N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-fur anyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)valyl]amino}tetrahydro-3-furanyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)-L-valinate

  • Molecular FormulaC70H88Br4N8O15
  • Average mass1601.108 Da
  • Monoisotopic mass1596.310181 Da
  • ChemSpider ID30658945

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

L-Valine, N-[[(2S,3R)-2-(4-bromophenyl)-3-[[(2R)-2-[[[(2S,3R)-2-(4-bromophenyl)-3-[[(2R)-2-[[[(2S,3R)-2-(4-bromophenyl)-3-[[(2R)-2-[[[(2S,3R)-2-(4-bromophenyl)-3-[[(1,1-dimethylethoxy)carbonyl]amino]t etrahydro-3-furanyl]carbonyl]amino]-3-methyl-1-oxobutyl]amino]tetrahydro-3-furanyl]carbonyl]amino]-3-methyl-1-oxobutyl]amino]tetrahydro-3-furanyl]carbonyl]amino]-3-methyl-1-oxobutyl]amino]tetrahydro-3 -furanyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-{[N-({(2S,3R)-2-(4-bromophenyl)-3-[(N-{[(2S,3R)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-fur anyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)valyl]amino}tetrahydro-3-furanyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)-L-valinate [ACD/IUPAC Name]
Methyl-N-({(2S,3R)-2-(4-bromphenyl)-3-[(N-{[(2S,3R)-2-(4-bromphenyl)-3-{[N-({(2S,3R)-2-(4-bromphenyl)-3-[(N-{[(2S,3R)-2-(4-bromphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-furanyl ]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)valyl]amino}tetrahydro-3-furanyl]carbonyl}valyl)amino]tetrahydro-3-furanyl}carbonyl)-L-valinat [German] [ACD/IUPAC Name]
N-({(2S,3R)-2-(4-Bromophényl)-3-[(N-{[(2S,3R)-2-(4-bromophényl)-3-{[N-({(2S,3R)-2-(4-bromophényl)-3-[(N-{[(2S,3R)-2-(4-bromophényl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)tétrahydro-3-furanyl]ca rbonyl}valyl)amino]tétrahydro-3-furanyl}carbonyl)valyl]amino}tétrahydro-3-furanyl]carbonyl}valyl)amino]tétrahydro-3-furanyl}carbonyl)-L-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1442.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 221.8±3.0 kJ/mol
Flash Point: 825.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 377.1±0.4 cm3
#H bond acceptors: 23
#H bond donors: 8
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 14.49
ACD/LogD (pH 5.5): 11.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 305 Å2
Polarizability: 149.5±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 1053.4±5.0 cm3

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