ChemSpider 2D Image | N-{(1Z)-1-[(Z)-(1,6-Diamino-1-hydroxy-2-hexanylidene)amino]-1-hydroxy-3-phenyl-1-propen-2-yl}-Nalpha-[(2E)-2-{[(1E)-2-(histidylamino)-1-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propen-1-yl]imino}-1-hydrox ypropyl]tryptophanamide | C47H58N12O6

N-{(1Z)-1-[(Z)-(1,6-Diamino-1-hydroxy-2-hexanylidene)amino]-1-hydroxy-3-phenyl-1-propen-2-yl}-Nα-[(2E)-2-{[(1E)-2-(histidylamino)-1-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propen-1-yl]imino}-1-hydrox ypropyl]tryptophanamide

  • Molecular FormulaC47H58N12O6
  • Average mass887.040 Da
  • Monoisotopic mass886.460205 Da
  • ChemSpider ID95637614

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-3-propanamide, N-[(Z)-2-[[(1Z)-5-amino-1-(aminohydroxymethyl)pentylidene]amino]-2-hydroxy-1-(phenylmethyl)ethenyl]-α-[[(2E)-2-[[(1E)-2-[[2-amino-3-(1H-imidazol-4-yl)-1-oxopropyl]amino]-1 -hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propen-1-yl]imino]-1-hydroxypropyl]amino]- [ACD/Index Name]
N-{(1Z)-1-[(Z)-(1,6-Diamino-1-hydroxy-2-hexanyliden)amino]-1-hydroxy-3-phenyl-1-propen-2-yl}-Nα-[(2E)-2-{[(1E)-2-(histidylamino)-1-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propen-1-yl]imino}-1-hydroxy propyl]tryptophanamid [German] [ACD/IUPAC Name]
N-{(1Z)-1-[(Z)-(1,6-Diamino-1-hydroxy-2-hexanylidene)amino]-1-hydroxy-3-phenyl-1-propen-2-yl}-Nα-[(2E)-2-{[(1E)-2-(histidylamino)-1-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propen-1-yl]imino}-1-hydrox ypropyl]tryptophanamide [ACD/IUPAC Name]
N-{(1Z)-1-[(Z)-(1,6-Diamino-1-hydroxy-2-hexanylidène)amino]-1-hydroxy-3-phényl-1-propén-2-yl}-Nα-[(2E)-2-{[(1E)-2-(histidylamino)-1-hydroxy-3-(2-méthyl-1H-indol-3-yl)-1-propén-1-yl]imino}-1-hydrox ypropyl]tryptophaneamide [French] [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: 1215.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.2±3.0 kJ/mol
Flash Point: 688.9±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 241.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 16
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 7.81
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 95.9±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 629.8±7.0 cm3

Click to predict properties on the Chemicalize site


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