Found 6 results

Search term: MF = 'C_{37}H_{61}N_{5}O_{9}'
ChemSpider 2D Image | N-(3-Methylbutanoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-{[(2S)-1-{[(3S,4S)-3-hydroxy-1-methoxy-6-methyl-1-oxo-4-heptanyl]amino}-1-oxo-2-propanyl]amino}-6-methyl-1-oxo-4-heptanyl]-L-alaninamide | C37H61N5O9

N-(3-Methylbutanoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-{[(2S)-1-{[(3S,4S)-3-hydroxy-1-methoxy-6-methyl-1-oxo-4-heptanyl]amino}-1-oxo-2-propanyl]amino}-6-methyl-1-oxo-4-heptanyl]-L-alaninamide

  • Molecular FormulaC37H61N5O9
  • Average mass719.908 Da
  • Monoisotopic mass719.446899 Da
  • ChemSpider ID34222888

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-[[(1S)-2-[[(1S,2S)-2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl]amino]-1-methyl-2-oxoethyl]amino]-1-(2-methylpropyl)-4 -oxobutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-{[(2S)-1-{[(3S,4S)-3-hydroxy-1-methoxy-6-methyl-1-oxo-4-heptanyl]amino}-1-oxo-2-propanyl]amino}-6-methyl-1-oxo-4-heptanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-{[(2S)-1-{[(3S,4S)-3-hydroxy-1-methoxy-6-methyl-1-oxo-4-heptanyl]amino}-1-oxo-2-propanyl]amino}-6-methyl-1-oxo-4-heptanyl]-L-alaninamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-L-phénylalanyl-N-[(3S,4S)-3-hydroxy-1-{[(2S)-1-{[(3S,4S)-3-hydroxy-1-méthoxy-6-méthyl-1-oxo-4-heptanyl]amino}-1-oxo-2-propanyl]amino}-6-méthyl-1-oxo-4-heptanyl]-L-alaninamide [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: 1018.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.8±3.0 kJ/mol
Flash Point: 569.6±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 192.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.89
ACD/KOC (pH 5.5): 562.99
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.89
ACD/KOC (pH 7.4): 562.99
Polar Surface Area: 212 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 632.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement