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Search term: MHKKSEUXRRYDGI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[2-hydroxy-2-(2-pyridinyl)propanoyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate | C33H44N4O6

2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[2-hydroxy-2-(2-pyridinyl)propanoyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID422914

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(2S,3R)-3-Hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[2-hydroxy-2-(2-pyridinyl)propanoyl]amino}-4-phénylbutyl]amino}-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[2-hydroxy-2-(2-pyridinyl)propanoyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[2-hydroxy-2-(2-pyridinyl)propanoyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(2R,3S)-2-hydroxy-3-[[2-hydroxy-1-oxo-2-(2-pyridinyl)propyl]amino]-4-phenylbutyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[1S-[1R*,2S*(2S*,3R*)]]-[2-Hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-1-oxo-2-(2-pyridinyl)propyl]amino]-3-phenylbutyl]amino]-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethyethyl ester

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

AIDS097493 [DBID]
AIDS-097493 [DBID]
AIDS097494 [DBID]
AIDS-097494 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 458.1±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 29.76
Polar Surface Area: 153 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 490.0±3.0 cm3

Click to predict properties on the Chemicalize site


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