Found 28 results

Search term: MF = 'C_{38}H_{50}N_{6}O_{8}'
ChemSpider 2D Image | N-[(3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-N~4~-(2-{[(benzyloxy)carbonyl]amino}ethyl)-L-aspartamide | C38H50N6O8

N-[(3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-N4-(2-{[(benzyloxy)carbonyl]amino}ethyl)-L-aspartamide

  • Molecular FormulaC38H50N6O8
  • Average mass718.839 Da
  • Monoisotopic mass718.369019 Da
  • ChemSpider ID8875382

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Aspartamide, N-[(3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-L-phenylalanyl-N4-[2-[[(phenylmethoxy)carbonyl]amino]ethyl]- [ACD/Index Name]
N-[(3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-N4-(2-{[(benzyloxy)carbonyl]amino}ethyl)-L-aspartamid [German] [ACD/IUPAC Name]
N-[(3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-N4-(2-{[(benzyloxy)carbonyl]amino}ethyl)-L-aspartamide [ACD/IUPAC Name]
N-[(3S)-2-Hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-L-phénylalanyl-N4-(2-{[(benzyloxy)carbonyl]amino}éthyl)-L-aspartamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1016.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.4±3.0 kJ/mol
Flash Point: 568.3±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 194.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 146.67
ACD/KOC (pH 5.5): 960.96
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.25
ACD/KOC (pH 7.4): 2288.25
Polar Surface Area: 210 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 585.9±3.0 cm3

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