ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl {(2R,5R)-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-homoseryl)amino]-1,6-diphenyl-2-hexanyl}carbamate | C36H46N6O5S2

1,3-Thiazol-5-ylmethyl {(2R,5R)-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-homoseryl)amino]-1,6-diphenyl-2-hexanyl}carbamate

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID31138496

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2R,5R)-5-[(N-{[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-L-homoséryl)amino]-1,6-diphényl-2-hexanyl}carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl {(2R,5R)-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-homoseryl)amino]-1,6-diphenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-{(2R,5R)-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-homoseryl)amino]-1,6-diphenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,4R)-4-[[(2S)-4-hydroxy-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index 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: 951.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.1±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 194.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1230.39
ACD/KOC (pH 5.5): 5662.65
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.85
ACD/KOC (pH 7.4): 5669.38
Polar Surface Area: 202 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 564.5±3.0 cm3

Click to predict properties on the Chemicalize site


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