ChemSpider 2D Image | N,N-Dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-ala
nyl}amino)-1-propanaminium | C31H42N11O5

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

  • Molecular FormulaC31H42N11O5
  • Average mass648.735 Da
  • Monoisotopic mass648.336487 Da
  • ChemSpider ID3826222
  • 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-[[[1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1H-pyrrol-2-yl] carbonyl]amino]-1-oxopropyl]amino]- [ACD/Index Name]
N,N-Dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-β-ala nyl}amino)-1-propanaminium [ACD/IUPAC Name]
N,N-Dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-β-ala nyl}amino)-1-propanaminium [German] [ACD/IUPAC Name]
N,N-Diméthyl-3-({N-[(1-méthyl-4-{[(1-méthyl-4-{[(1-méthyl-4-{[(1-méthyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-β-ala nyl}amino)-1-propanaminium [French] [ACD/IUPAC Name]
IMIDAZOLE-PYRROLE POLYAMIDE
IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-β ALANINE-DIMETHYLAMINO PROPYLAMIDE
IPY

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

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