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Search term: HXPWPXJRIXYIRJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{2-[(Cyclohexyl{[(4-nitro-2H-pyrrol-2-yl)carbonyl]amino}acetyl)amino]-3,3-dimethylbutanoyl}-N-[1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydro-1H-indole-2-carboxamide | C37H57N7O8

1-{2-[(Cyclohexyl{[(4-nitro-2H-pyrrol-2-yl)carbonyl]amino}acetyl)amino]-3,3-dimethylbutanoyl}-N-[1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydro-1H-indole-2-carboxamide

  • Molecular FormulaC37H57N7O8
  • Average mass727.891 Da
  • Monoisotopic mass727.426880 Da
  • ChemSpider ID22377246

More details:

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

1-{2-[(2-Cyclohexyl-2-{[(4-nitro-2H-pyrrol-2-yl)carbonyl]amino}acétyl)amino]-3,3-diméthylbutanoyl}-N-[1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydro-1H-indole-2-carboxamide (non-preferred na me) [French] [ACD/IUPAC Name]
1-{2-[(Cyclohexyl{[(4-nitro-2H-pyrrol-2-yl)carbonyl]amino}acetyl)amino]-3,3-dimethylbutanoyl}-N-[1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydro-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
1-{2-[(Cyclohexyl{[(4-nitro-2H-pyrrol-2-yl)carbonyl]amino}acetyl)amino]-3,3-dimethylbutanoyl}-N-[1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydro-1H-indole-2-carboxamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1053.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.5±6.0 kJ/mol
Flash Point: 590.6±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 190.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.51
ACD/KOC (pH 5.5): 1422.53
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.52
ACD/KOC (pH 7.4): 1422.58
Polar Surface Area: 215 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 509.2±7.0 cm3

Click to predict properties on the Chemicalize site


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