ChemSpider 2D Image | Dragomabin | C37H51N5O6


  • Molecular FormulaC37H51N5O6
  • Average mass661.831 Da
  • Monoisotopic mass661.383911 Da
  • ChemSpider ID20568904
  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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Dragomabin [Wiki]
L-Tyrosinamide, N-methyl-N-[(2S)-2-methyl-1-oxo-7-octyn-1-yl]-L-phenylalanyl-L-alanyl-N-methyl-L-alanyl-Nα,O-dimethyl- [ACD/Index Name]
N-Methyl-N-[(2S)-2-methyl-7-octynoyl]-L-phenylalanyl-L-alanyl-N-methyl-L-alanyl-Nα,O-dimethyl-L-tyrosinamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(2S)-2-methyl-7-octynoyl]-L-phenylalanyl-L-alanyl-N-methyl-L-alanyl-Nα,O-dimethyl-L-tyrosinamide [ACD/IUPAC Name]
N-Méthyl-N-[(2S)-2-méthyl-7-octynoyl]-L-phénylalanyl-L-alanyl-N-méthyl-L-alanyl-Nα,O-diméthyl-L-tyrosinamide [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A lipopeptide consisting of a 2-methyloct-7-ynoyl moiety attached to a linear tetrapeptide comprising of <element>N</element>-methyl-<stereo>L</stereo>-phenylalanyl, <stereo>L</stereo>-alanyl, <elemen t>N</element>-methyl-<stereo>L</stereo>-alanyl and <element>N</element><stereo>alpha</stereo>,<element>O</element>-dimethyl-<stereo>L</stereo>-tyrosine units. It is isolated from a Panamanian strain o f the marine cyanobacterium <ital>Lyngbya majuscula</ital> and displays antimalarial activity. ChEBI CHEBI:65583

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 885.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 489.5±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 185.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.11
ACD/KOC (pH 5.5): 1398.27
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.11
ACD/KOC (pH 7.4): 1398.26
Polar Surface Area: 142 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 575.6±3.0 cm3

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