ChemSpider 2D Image | N-[(3Z)-3-Amino-3-iminopropyl]-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(2S)-2-oxiranylcarbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide | C24H29N9O5

N-[(3Z)-3-Amino-3-iminopropyl]-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(2S)-2-oxiranylcarbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC24H29N9O5
  • Average mass523.544 Da
  • Monoisotopic mass523.229187 Da
  • ChemSpider ID8567480

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[5-[[[(3Z)-3-amino-3-iminopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-[[[1-methyl-4-[[(2S)-oxiranylcarbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]- [ACD/Index Name]
N-[(3Z)-3-Amino-3-iminopropyl]-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(2S)-2-oxiranylcarbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(3Z)-3-Amino-3-iminopropyl]-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(2S)-2-oxiranylcarbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(3Z)-3-Amino-3-iminopropyl]-1-méthyl-4-{[(1-méthyl-4-{[(1-méthyl-4-{[(2S)-2-oxiranylcarbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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