ChemSpider 2D Image | N-(4-Sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxo-2-butanyl]-L-prolinamide | C29H35N5O7S

N-(4-Sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxo-2-butanyl]-L-prolinamide

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID8546770

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[4-(aminosulfonyl)benzoyl]-L-valyl-N-[(1S)-1-(2-benzoxazolylcarbonyl)-2-methylpropyl]- [ACD/Index Name]
N-(4-Sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxo-2-butanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(4-Sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxo-2-butanyl]-L-prolinamide [ACD/IUPAC Name]
N-(4-Sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-méthyl-1-oxo-2-butanyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-(4-sulfamoylbenzoyl)-L-valyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]-L-prolinamide
(S)-1-[(S)-3-Methyl-2-(4-sulfamoyl-benzoylamino)-butyryl]-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-2-methyl-propyl]-amide

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: 1.604
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.63
ACD/KOC (pH 5.5): 213.82
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.57
ACD/KOC (pH 7.4): 212.76
Polar Surface Area: 190 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 451.4±3.0 cm3

Click to predict properties on the Chemicalize site


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