ChemSpider 2D Image | (2-Isopropyl-1,3-oxazol-4-yl)methyl [(2S)-1-{[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-{[(3-pyridinylmethoxy)carbonyl]amino}-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate | C38H47N5O7

(2-Isopropyl-1,3-oxazol-4-yl)methyl [(2S)-1-{[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-{[(3-pyridinylmethoxy)carbonyl]amino}-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID449944

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2-Isopropyl-1,3-oxazol-4-yl)methyl [(2S)-1-{[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-{[(3-pyridinylmethoxy)carbonyl]amino}-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
(2-Isopropyl-1,3-oxazol-4-yl)methyl-[(2S)-1-{[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-{[(3-pyridinylmethoxy)carbonyl]amino}-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S)-1-{[(2S,3S,5S)-3-Hydroxy-1,6-diphényl-5-{[(3-pyridinylméthoxy)carbonyl]amino}-2-hexanyl]amino}-3-méthyl-1-oxo-2-butanyl]carbamate de (2-isopropyl-1,3-oxazol-4-yl)méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[[[[2-(1-methylethyl)-4-oxazolyl]methoxy]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 3-pyridinylmethyl ester [ACD/Index Name]
Pyridin-3-ylmethyl ((1S,3S,4S)-1-benzyl-3-hydroxy-4-{[(2S)-2-({[(2-isopropyl-1,3-oxazol-4-yl)methoxy]carbonyl}amino)-3-methylbutanoyl]amino}-5-phenylpentyl)carbamate

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

AIDS192372 [DBID]
AIDS-192372 [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: 889.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.6±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1528.76
ACD/KOC (pH 5.5): 6495.23
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1629.43
ACD/KOC (pH 7.4): 6922.94
Polar Surface Area: 165 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 568.2±3.0 cm3

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