ChemSpider 2D Image | (3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide | C26H32N4O7S

(3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide

  • Molecular FormulaC26H32N4O7S
  • Average mass544.620 Da
  • Monoisotopic mass544.199158 Da
  • ChemSpider ID4450902
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide
L-Prolinamide, N-(2-naphthalenylcarbonyl)-L-valyl-N-[(1S)-1-formyl-3-[(methylsulfonyl)amino]-3-oxopropyl]- [ACD/Index Name]
N-(2-Naphthoyl)-L-valyl-N-{(2S)-4-[(methylsulfonyl)amino]-1,4-dioxo-2-butanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Naphthoyl)-L-valyl-N-{(2S)-4-[(methylsulfonyl)amino]-1,4-dioxo-2-butanyl}-L-prolinamide [ACD/IUPAC Name]
N-(2-Naphtoyl)-L-valyl-N-{(2S)-4-[(méthylsulfonyl)amino]-1,4-dioxo-2-butanyl}-L-prolinamide [French] [ACD/IUPAC Name]
MNO

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 167 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 410.9±3.0 cm3

Click to predict properties on the Chemicalize site






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