Found 2 results

Search term: MF = 'C_{44}H_{67}N_{7}O_{13}'
ChemSpider 2D Image | L-gamma-Glutamyl-L-threonyl-N-{(6S)-1-[(2S)-1-{[(2S)-1-{[(1S,2S)-1-carboxy-2-methylbutyl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-methyl-1-oxo-2-butanyl]-6-hydroxy-2-oxo-3-piperidinyl}-3-[(4R )-4-hydroxy-2-cyclohexen-1-yl]-L-alaninamide | C44H67N7O13

L-γ-Glutamyl-L-threonyl-N-{(6S)-1-[(2S)-1-{[(2S)-1-{[(1S,2S)-1-carboxy-2-methylbutyl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-methyl-1-oxo-2-butanyl]-6-hydroxy-2-oxo-3-piperidinyl}-3-[(4R )-4-hydroxy-2-cyclohexen-1-yl]-L-alaninamide

  • Molecular FormulaC44H67N7O13
  • Average mass902.042 Da
  • Monoisotopic mass901.479675 Da
  • ChemSpider ID8435631

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

L-Alaninamide, L-γ-glutamyl-L-threonyl-N-[(6S)-1-[(1S)-1-[[[(1S)-2-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]methylamino]carbonyl]-2-methylpropyl]-6-hydroxy-2-oxo-3-pipe ridinyl]-3-[(4R)-4-hydroxy-2-cyclohexen-1-yl]- [ACD/Index Name]
L-γ-Glutamyl-L-threonyl-N-{(6S)-1-[(2S)-1-{[(2S)-1-{[(1S,2S)-1-carboxy-2-methylbutyl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-methyl-1-oxo-2-butanyl]-6-hydroxy-2-oxo-3-piperidinyl}-3-[(4R )-4-hydroxy-2-cyclohexen-1-yl]-L-alaninamid [German] [ACD/IUPAC Name]
L-γ-Glutamyl-L-threonyl-N-{(6S)-1-[(2S)-1-{[(2S)-1-{[(1S,2S)-1-carboxy-2-methylbutyl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-methyl-1-oxo-2-butanyl]-6-hydroxy-2-oxo-3-piperidinyl}-3-[(4R )-4-hydroxy-2-cyclohexen-1-yl]-L-alaninamide [ACD/IUPAC Name]
L-γ-Glutamyl-L-thréonyl-N-{(6S)-1-[(2S)-1-{[(2S)-1-{[(1S,2S)-1-carboxy-2-méthylbutyl]amino}-1-oxo-3-phényl-2-propanyl](méthyl)amino}-3-méthyl-1-oxo-2-butanyl]-6-hydroxy-2-oxo-3-pipéridinyl}-3-[(4R )-4-hydroxy-2-cyclohexén-1-yl]-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1241.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.8±3.0 kJ/mol
Flash Point: 704.6±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 674.2±5.0 cm3

Click to predict properties on the Chemicalize site


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