ChemSpider 2D Image | N~2~-(3-{7-[2-(Glycylamino)ethyl]-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl}propanoyl)-L-lysylglycylglycyl-N-{2-[7-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxopropyl)- 1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]ethyl}glycinamide | C58H64N14O17

N2-(3-{7-[2-(Glycylamino)ethyl]-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl}propanoyl)-L-lysylglycylglycyl-N-{2-[7-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxopropyl)- 1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]ethyl}glycinamide

  • Molecular FormulaC58H64N14O17
  • Average mass1229.212 Da
  • Monoisotopic mass1228.457387 Da
  • ChemSpider ID17300587

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycinamide, N2-[3-[7-[2-[(2-aminoacetyl)amino]ethyl]-3,6,7,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]-1-oxopropyl]-L-lysylglycylglycyl-N-[2-[7-[3-[[(1S)-5-amino-1-carboxype 
ntyl]amino]-3-oxopropyl]-3,6,7,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]ethyl]- [ACD/Index Name]
N2-(3-{7-[2-(Glycylamino)ethyl]-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl}propanoyl)-L-lysylglycylglycyl-N-{2-[7-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxopropyl)- 1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]ethyl}glycinamid [German] [ACD/IUPAC Name]
N2-(3-{7-[2-(Glycylamino)ethyl]-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl}propanoyl)-L-lysylglycylglycyl-N-{2-[7-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxopropyl)- 1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]ethyl}glycinamide [ACD/IUPAC Name]
N2-(3-{7-[2-(Glycylamino)éthyl]-1,3,6,8-tétraoxo-3,6,7,8-tétrahydrobenzo[lmn][3,8]phénanthrolin-2(1H)-yl}propanoyl)-L-lysylglycylglycyl-N-{2-[7-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxopropyl)- 1,3,6,8-tétraoxo-3,6,7,8-tétrahydrobenzo[lmn][3,8]phénanthrolin-2(1H)-yl]éthyl}glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 1627.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 267.6±0.0 kJ/mol
Flash Point: 938.1±0.0 °C
Index of Refraction: 1.662
Molar Refractivity: 308.4±0.0 cm3
#H bond acceptors: 31
#H bond donors: 14
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 122.3±0.0 10-24cm3
Surface Tension: 77.3±0.0 dyne/cm
Molar Volume: 832.5±0.0 cm3

Click to predict properties on the Chemicalize site


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