ChemSpider 2D Image | N-Acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C24H32N4O4S

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

  • Molecular FormulaC24H32N4O4S
  • Average mass472.600 Da
  • Monoisotopic mass472.214417 Da
  • ChemSpider ID35035176

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-acetyl-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- [ACD/Index Name]
N-Acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-3-méthyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-méthyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2S,4R)-1-[(2S)-2-(ACETYLAMINO)-3,3-DIMETHYLBUTANOYL]-4-HYDROXY-N2-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]TETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
1448188-62-2 [RN]
3JF
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344081/
VH032

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.41
ACD/KOC (pH 5.5): 186.08
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.44
ACD/KOC (pH 7.4): 186.54
Polar Surface Area: 140 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 378.4±3.0 cm3

Click to predict properties on the Chemicalize site


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