ChemSpider 2D Image | N-[(1-Acetamidocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C28H37N5O5S

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

  • Molecular FormulaC28H37N5O5S
  • Average mass555.689 Da
  • Monoisotopic mass555.251526 Da
  • ChemSpider ID61709219

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[[1-(acetylamino)cyclopropyl]carbonyl]-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- [ACD/Index Name]
N-[(1-Acetamidocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(1-Acetamidocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
N-[(1-Acétamidocyclopropyl)carbonyl]-3-méthyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-méthyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2{s},4{r})-1-[(2{s})-2-[(1-Acetamidocyclopropyl)carbonylamino]-3,3-Dimethyl-Butanoyl]-{n}-[[4-(4-Methyl-1,3-Thiazol-5-Yl)phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
9BK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 905.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 501.2±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 45.62
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.73
Polar Surface Area: 169 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


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