ChemSpider 2D Image | N,N-Dimethyl-L-valyl-N-{(3S,4S,5R)-3-methoxy-1-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo-4-heptanyl}-N-methyl-L-valinamide | C39H67N5O6

N,N-Dimethyl-L-valyl-N-{(3S,4S,5R)-3-methoxy-1-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo-4-heptanyl}-N-methyl-L-valinamide

  • Molecular FormulaC39H67N5O6
  • Average mass701.979 Da
  • Monoisotopic mass701.509155 Da
  • ChemSpider ID25058269

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2S)-2-methoxy-4-[(2S)-2-[(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl]-1-pyrrolidinyl]-1-[(1R)-1-methylpropyl]-4-oxobutyl]-N-methyl- [ACD/Index Name]
N,N-Dimethyl-L-valyl-N-{(3S,4S,5R)-3-methoxy-1-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo-4-heptanyl}-N-methyl-L-valinamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-L-valyl-N-{(3S,4S,5R)-3-methoxy-1-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo-4-heptanyl}-N-methyl-L-valinamide [ACD/IUPAC Name]
N,N-Diméthyl-L-valyl-N-{(3S,4S,5R)-3-méthoxy-1-[(2S)-2-{(1R,2S)-1-méthoxy-2-méthyl-3-oxo-3-[(2-phényléthyl)amino]propyl}-1-pyrrolidinyl]-5-méthyl-1-oxo-4-heptanyl}-N-méthyl-L-valinamide [French] [ACD/IUPAC Name]
soblidotin [INN]
TZT

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

TZT-1027 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 463.9±34.3 °C
Index of Refraction: 1.515
Molar Refractivity: 198.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 60.14
ACD/KOC (pH 5.5): 235.15
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1501.97
ACD/KOC (pH 7.4): 5872.70
Polar Surface Area: 121 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 659.2±3.0 cm3

Click to predict properties on the Chemicalize site


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