ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-({(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-[(methylsulfonyl)amino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamate | C37H49N7O6S3

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

  • Molecular FormulaC37H49N7O6S3
  • Average mass784.023 Da
  • Monoisotopic mass783.290649 Da
  • ChemSpider ID31138503

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,5R)-5-({(2S)-2-({[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}amino)-4-[(méthylsulfonyl)amino]butanoyl}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-({(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-[(methylsulfonyl)amino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-[(2R,5R)-5-({(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-[(methylsulfonyl)amino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,4R)-4-[[(2S)-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-4-[(methylsulfonyl)amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmet hyl 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 210.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 849.97
ACD/KOC (pH 5.5): 4345.87
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 850.55
ACD/KOC (pH 7.4): 4348.82
Polar Surface Area: 237 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 613.3±3.0 cm3

Click to predict properties on the Chemicalize site


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