ChemSpider 2D Image | N-[2-[[1-benzyl-2-oxo-2-[[2-oxo-2-[2-(2-oxo-2-pyrrolidin-2-yl-acetyl)pyrrolidin-1-yl]ethyl]amino]ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-1-[2-[[5-guanidino-2-(hydroxyamino)pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide | C44H61N11O10

N-[2-[[1-benzyl-2-oxo-2-[[2-oxo-2-[2-(2-oxo-2-pyrrolidin-2-yl-acetyl)pyrrolidin-1-yl]ethyl]amino]ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-1-[2-[[5-guanidino-2-(hydroxyamino)pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

  • Molecular FormulaC44H61N11O10
  • Average mass904.023 Da
  • Monoisotopic mass903.460266 Da
  • ChemSpider ID8661343

More details:

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

N5-(Diaminomethylen)-N2-hydroxyornithylphenylalanyl-N-[3-hydroxy-1-oxo-1-({1-oxo-1-[(2-oxo-2-{2-[oxo(2-pyrrolidinyl)acetyl]-1-pyrrolidinyl}ethyl)amino]-3-phenyl-2-propanyl}amino)-2-propanyl]prolin amid [German] [ACD/IUPAC Name]
N5-(Diaminométhylène)-N2-hydroxyornithylphénylalanyl-N-[3-hydroxy-1-oxo-1-({1-oxo-1-[(2-oxo-2-{2-[2-oxo-2-(2-pyrrolidinyl)acétyl]-1-pyrrolidinyl}éthyl)amino]-3-phényl-2-propanyl}amino)-2-propanyl] prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 234.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -4.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 616.3±7.0 cm3

Click to predict properties on the Chemicalize site


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