ChemSpider 2D Image | (5S,8S,10aS)-N-(Diphenylmethyl)-5-[(N-methyl-D-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide | C32H43N5O4

(5S,8S,10aS)-N-(Diphenylmethyl)-5-[(N-methyl-D-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID34997819

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,8S,10aS)-N-(Diphenylmethyl)-5-[(N-methyl-D-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-8-carboxamid [German] [ACD/IUPAC Name]
(5S,8S,10aS)-N-(Diphenylmethyl)-5-[(N-methyl-D-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide [ACD/IUPAC Name]
(5S,8S,10aS)-N-(Diphénylméthyl)-5-[(N-méthyl-D-alanyl)amino]-3-(3-méthylbutanoyl)-6-oxodécahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a][1,5]diazocine-8-carboxamide, N-(diphenylmethyl)decahydro-5-[[(2R)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxo-, (5S,8S,10aS)- [ACD/Index Name]
1071992-99-8 [RN]
AT-406

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

Density: 1.2±0.1 g/cm3
Boiling Point: 840.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 462.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 121.11
Polar Surface Area: 111 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 463.3±5.0 cm3

Click to predict properties on the Chemicalize site


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