ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-{2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl}-O-(2-methyl-2-propanyl)-L-tyrosinamide | C38H40N2O8

Nα-[(Benzyloxy)carbonyl]-N-{2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl}-O-(2-methyl-2-propanyl)-L-tyrosinamide

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID9716750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[4-(1,1-dimethylethoxy)phenyl]methyl]-2-[[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]amino]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-{2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl}-O-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-{2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl}-O-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-{2-méthoxy-5-[(Z)-2-(7-méthoxy-1,3-benzodioxol-5-yl)vinyl]phényl}-O-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
3,4-Methylenedioxy-5,4'-dimethoxy-3'-(O-tert-butyl-NαZ- L-Tyr)-amido-Z-stilbene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456682/
Nα-[(benzyloxy)carbonyl]-O-tert-butyl-N-{2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl}-L-tyrosinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 246220.95
ACD/KOC (pH 5.5): 251580.63
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 246073.92
ACD/KOC (pH 7.4): 251430.41
Polar Surface Area: 114 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 522.1±3.0 cm3

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