ChemSpider 2D Image | (2R)-2-[(Isopropoxyacetyl)amino]-3-methyl-N-{(1S)-1-[(2R,3S)-3-{2-[(3-methyl-1-phenyl-2-butanyl)amino]-2-oxoethyl}-2-oxiranyl]-2-phenylethyl}-3-(methylsulfonyl)butanamide | C34H49N3O7S

(2R)-2-[(Isopropoxyacetyl)amino]-3-methyl-N-{(1S)-1-[(2R,3S)-3-{2-[(3-methyl-1-phenyl-2-butanyl)amino]-2-oxoethyl}-2-oxiranyl]-2-phenylethyl}-3-(methylsulfonyl)butanamide

  • Molecular FormulaC34H49N3O7S
  • Average mass643.834 Da
  • Monoisotopic mass643.329102 Da
  • ChemSpider ID409424

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R)-2-[(2-Isopropoxyacétyl)amino]-3-méthyl-N-{(1S)-1-[(2R,3S)-3-{2-[(3-méthyl-1-phényl-2-butanyl)amino]-2-oxoéthyl}-2-oxiranyl]-2-phényléthyl}-3-(méthylsulfonyl)butanamide [French] [ACD/IUPAC Name]
(2R)-2-[(Isopropoxyacetyl)amino]-3-methyl-N-{(1S)-1-[(2R,3S)-3-{2-[(3-methyl-1-phenyl-2-butanyl)amino]-2-oxoethyl}-2-oxiranyl]-2-phenylethyl}-3-(methylsulfonyl)butanamid [German] [ACD/IUPAC Name]
(2R)-2-[(Isopropoxyacetyl)amino]-3-methyl-N-{(1S)-1-[(2R,3S)-3-{2-[(3-methyl-1-phenyl-2-butanyl)amino]-2-oxoethyl}-2-oxiranyl]-2-phenylethyl}-3-(methylsulfonyl)butanamide [ACD/IUPAC Name]
(R)-N-((S)-1-{(2R,3S)-3-[(1-Benzyl-2-methyl-propylcarbamoyl)-methyl]-oxiranyl}-2-phenyl-ethyl)-2-(2-isopropoxy-ethanoylamino)-3-methanesulfonyl-3-methyl-butyramide

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

AIDS045218 [DBID]
AIDS-045218 [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: 905.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 501.6±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 174.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.69
ACD/KOC (pH 5.5): 2687.19
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.68
ACD/KOC (pH 7.4): 2687.15
Polar Surface Area: 152 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 549.7±3.0 cm3

Click to predict properties on the Chemicalize site


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