ChemSpider 2D Image | Ethyl (E)-N~5~-(amino{[(benzyloxy)carbonyl]amino}methylene)-N~2~-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]ornithinate | C29H35N5O7

Ethyl (E)-N5-(amino{[(benzyloxy)carbonyl]amino}methylene)-N2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]ornithinate

  • Molecular FormulaC29H35N5O7
  • Average mass565.617 Da
  • Monoisotopic mass565.253662 Da
  • ChemSpider ID244558

More details:

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

(E)-N5-(Amino{[(benzyloxy)carbonyl]amino}méthylène)-N2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-méthylbutanoyl]ornithinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (E)-N5-(amino{[(benzyloxy)carbonyl]amino}methylene)-N2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]ornithinate [ACD/IUPAC Name]
Ethyl-(E)-N5-(amino{[(benzyloxy)carbonyl]amino}methylen)-N2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]ornithinat [German] [ACD/IUPAC Name]
Ornithine, N5-[amino[[(phenylmethoxy)carbonyl]amino]methylene]-N2-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-, ethyl ester, (E)- [ACD/Index Name]

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

NSC126858 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 150.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 79.44
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 158.88
ACD/KOC (pH 7.4): 1211.46
Polar Surface Area: 169 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 431.5±7.0 cm3

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