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Search term: CCBNFSALFGXMHG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R)-1-Acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C23H28N4O5S

(4R)-1-Acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide

  • Molecular FormulaC23H28N4O5S
  • Average mass472.557 Da
  • Monoisotopic mass472.178040 Da
  • ChemSpider ID35035188

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R)-1-Acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-Acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-Acétyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-méthyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, (4R)-1-acetyl-4-hydroxy-L-prolyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- [ACD/Index Name]
3JS
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344085/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.8±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.16
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.19
Polar Surface Area: 151 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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