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Search term: JNBFSDQPUBSKFV-FUPPJEDESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(1-Acetylcyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C28H36N4O5S

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

  • Molecular FormulaC28H36N4O5S
  • Average mass540.674 Da
  • Monoisotopic mass540.240662 Da
  • ChemSpider ID61709220

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[(1-acetylcyclopropyl)carbonyl]-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- [ACD/Index Name]
N-[(1-Acetylcyclopropyl)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-Acetylcyclopropyl)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-Acétylcyclopropyl)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-Ethanoylcyclopropyl)carbonylamino]-3,3-Dimethyl-Butanoyl]-{n}-[[4-(4-Methyl-1,3-Thiazol-5-Yl)phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
9BN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 837.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 108.31
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.90
ACD/KOC (pH 7.4): 108.58
Polar Surface Area: 157 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 417.4±3.0 cm3

Click to predict properties on the Chemicalize site


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