ChemSpider 2D Image | N~2~-{[(1s)-6-Methoxy-3-Oxo-2,3-Dihydro-1h-Inden-1-Yl]acetyl}-N-{(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}-L-Threoninamide | C34H39N3O6

N2-{[(1s)-6-Methoxy-3-Oxo-2,3-Dihydro-1h-Inden-1-Yl]acetyl}-N-{(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}-L-Threoninamide

  • Molecular FormulaC34H39N3O6
  • Average mass585.690 Da
  • Monoisotopic mass585.283875 Da
  • ChemSpider ID26325728

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Indene-1-acetamide, 2,3-dihydro-N-[(1S,2R)-2-hydroxy-1-[[[(1S)-1-[[[(4-methylphenyl)methyl]amino]carbonyl]-3-phenylpropyl]amino]carbonyl]propyl]-6-methoxy-3-oxo-, (1S)- [ACD/Index Name]
N2-{[(1s)-6-Methoxy-3-Oxo-2,3-Dihydro-1h-Inden-1-Yl]acetyl}-N-{(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}-L-Threoninamide
N2-{[(1S)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-L-threoninamid [German] [ACD/IUPAC Name]
N2-{[(1S)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-L-threoninamide [ACD/IUPAC Name]
N2-{2-[(1S)-6-Méthoxy-3-oxo-2,3-dihydro-1H-indén-1-yl]acétyl}-N-{(2S)-1-[(4-méthylbenzyl)amino]-1-oxo-4-phényl-2-butanyl}-L-thréoninamide [French] [ACD/IUPAC Name]
LZT

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

Density: 1.2±0.1 g/cm3
Boiling Point: 922.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.4±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.92
ACD/KOC (pH 5.5): 2257.18
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.92
ACD/KOC (pH 7.4): 2257.17
Polar Surface Area: 134 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement