ChemSpider 2D Image | N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-({[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}[(~2~H_3_)methyl]carbamoyl)valinamide | C37H45D3N6O6S2

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-({[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}[(2H3)methyl]carbamoyl)valinamide

  • Molecular FormulaC37H45D3N6O6S2
  • Average mass739.962 Da
  • Monoisotopic mass739.326477 Da
  • ChemSpider ID107442784

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[2-[[[[[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]methyl]methyl-d3-amino]carbonyl]amino]-3-methyl-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiaz olylmethyl ester [ACD/Index Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-({[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}[(2H3)methyl]carbamoyl)valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-({[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]methyl}[(2H3)methyl]carbamoyl)valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-({[2-(2-hydroxy-2-propanyl)-1,3-thiazol-4-yl]méthyl}[(2H3)méthyl]carbamoyl)valinamide [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: 981.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.8±3.0 kJ/mol
Flash Point: 547.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 200.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 864.24
ACD/KOC (pH 5.5): 4398.57
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 864.54
ACD/KOC (pH 7.4): 4400.12
Polar Surface Area: 222 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 579.4±3.0 cm3

Click to predict properties on the Chemicalize site


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