ChemSpider 2D Image | N-[3-(Dimethylamino)propyl]-N~3~-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-3-oxo-3H-pyrrolium-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol- 2-yl)carbonyl]-beta-alaninamide | C31H40N11O6

N-[3-(Dimethylamino)propyl]-N3-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-3-oxo-3H-pyrrolium-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol- 2-yl)carbonyl]-β-alaninamide

  • Molecular FormulaC31H40N11O6
  • Average mass662.719 Da
  • Monoisotopic mass662.315735 Da
  • ChemSpider ID3824526

  • Charge - Charge

More details:

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

3H-Pyrrolium, 2-[[[5-[[[5-[[[3-[[3-(dimethylamino)propyl]amino]-3-oxopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-4-[[(1-methyl-1H-im idazol-2-yl)carbonyl]amino]-3-oxo- [ACD/Index Name]
N-[3-(Dimethylamino)propyl]-N3-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-3-oxo-3H-pyrrolium-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol- 2-yl)carbonyl]-β-alaninamid [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]-N3-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-3-oxo-3H-pyrrolium-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol- 2-yl)carbonyl]-β-alaninamide [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-N3-[(1-méthyl-4-{[(1-méthyl-4-{[(1-méthyl-4-{[(1-méthyl-1H-imidazol-2-yl)carbonyl]amino}-3-oxo-3H-pyrrolium-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol- 2-yl)carbonyl]-β-alaninamide [French] [ACD/IUPAC Name]
HP1
IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-β ALANINE-DIMETHYLAMINO PROPYLAMIDE
IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

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