ChemSpider 2D Image | (1-Naphthyloxy)methyl [(2S)-4-amino-1-{[(2S,3S)-4-{5,5-dimethyl-4-[(2-methyl-2-propanyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate (non-pr eferred name) | C36H45N5O8S

(1-Naphthyloxy)methyl [(2S)-4-amino-1-{[(2S,3S)-4-{5,5-dimethyl-4-[(2-methyl-2-propanyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate (non-pr eferred name)

  • Molecular FormulaC36H45N5O8S
  • Average mass707.836 Da
  • Monoisotopic mass707.298889 Da
  • ChemSpider ID438943

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1-Naphthyloxy)methyl [(2S)-4-amino-1-{[(2S,3S)-4-{5,5-dimethyl-4-[(2-methyl-2-propanyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate (non-pr eferred name) [ACD/IUPAC Name]
(1-Naphthyloxy)methyl-[(2S)-4-amino-1-{[(2S,3S)-4-{5,5-dimethyl-4-[(2-methyl-2-propanyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamat (non-pre ferred name) [German] [ACD/IUPAC Name]
[(2S)-4-Amino-1-{[(2S,3S)-4-{5,5-diméthyl-4-[(2-méthyl-2-propanyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phényl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate de (1-naphtyloxy)méthyle (non -preferred name) [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-amino-1-[[[(1S,2S)-3-[4-[[(1,1-dimethylethyl)amino]carbonyl]-5,5-dimethyl-3-thiazolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-oxopropyl]-, (1-naphthaleny loxy)methyl 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: 1047.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.5±3.0 kJ/mol
Flash Point: 587.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 190.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 490.74
ACD/KOC (pH 5.5): 2933.84
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 489.78
ACD/KOC (pH 7.4): 2928.08
Polar Surface Area: 215 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 551.5±3.0 cm3

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