Found 5 results

Search term: MF = 'C_{30}H_{49}N_{5}O_{6}S'
ChemSpider 2D Image | N-{3-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]-2-sulfanylpropanoyl}-L-leucyl-N-methyl-L-phenylalaninamide | C30H49N5O6S

N-{3-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]-2-sulfanylpropanoyl}-L-leucyl-N-methyl-L-phenylalaninamide

  • Molecular FormulaC30H49N5O6S
  • Average mass607.805 Da
  • Monoisotopic mass607.340332 Da
  • ChemSpider ID9225475

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[3-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-1-oxopentyl]amino]-2-mercapto-1-oxopropyl]-L-leucyl-N-methyl- [ACD/Index Name]
N-{3-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]-2-sulfanylpropanoyl}-L-leucyl-N-methyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{3-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]-2-sulfanylpropanoyl}-L-leucyl-N-methyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{3-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]-2-sulfanylpropanoyl}-L-leucyl-N-méthyl-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 882.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 487.6±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.41
ACD/KOC (pH 5.5): 1932.74
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 202.32
ACD/KOC (pH 7.4): 1424.95
Polar Surface Area: 194 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 537.8±3.0 cm3

Click to predict properties on the Chemicalize site


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