ChemSpider 2D Image | N,N-Dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl )amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}-1-propanaminium | C41H56N17O8

N,N-Dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl )amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}-1-propanaminium

  • Molecular FormulaC41H56N17O8
  • Average mass914.992 Da
  • Monoisotopic mass914.449219 Da
  • ChemSpider ID394148

  • Charge - Charge

More details:

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

1-Propanaminium, N,N-dimethyl-3-[[3-[[[1-methyl-4-[[[1-methyl-4-[[3-[[[1-methyl-4-[[3-[[[1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1-oxopropyl]amino]-1H-im idazol-2-yl]carbonyl]amino]-1-oxopropyl]amino]-1H-imidazol-2-yl]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1-oxopropyl]amino]- [ACD/Index Name]
N,N-Dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl )amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}-1-propanaminium [ACD/IUPAC Name]
N,N-Dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl )amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}-1-propanaminium [German] [ACD/IUPAC Name]
N,N-Diméthyl-3-{[3-({[1-méthyl-4-({[1-méthyl-4-({3-[({1-méthyl-4-[(3-{[(1-méthyl-4-{[(1-méthyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl )amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}-1-propanaminium [French] [ACD/IUPAC Name]
IMIDAZOLE-PYRROLE-β ALANINE-IMIDAZOLE-β ALANINE-IMIDAZOLE-PYRROLE-β ALANINE-DIMETHYLAMINO PROPYLAMIDE
P11

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability:
Surface Tension:
Molar Volume:

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