ChemSpider 2D Image | N~2~-({4-[4-(Aminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl}acetyl)-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine | C25H27N5O8

N2-({4-[4-(Aminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl}acetyl)-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine

  • Molecular FormulaC25H27N5O8
  • Average mass525.511 Da
  • Monoisotopic mass525.185974 Da
  • ChemSpider ID8896206

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

N2-({4-[4-(Aminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl}acetyl)-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagin [German] [ACD/IUPAC Name]
N2-({4-[4-(Aminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl}acetyl)-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine [ACD/IUPAC Name]
N2-(2-{4-[4-(Aminométhyl)phényl]-4-méthyl-2,5-dioxo-1-imidazolidinyl}acétyl)-N-[(S)-carboxy(phényl)méthyl]-L-α-asparagine [French] [ACD/IUPAC Name]
3-{2-[4-(4-Aminomethyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-N-(carboxy-phenyl-methyl)-succinamic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL277734/
N2-({4-[4-(aminomethyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl}acetyl)-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement