Found 5 results

Search term: IEKGSKLKBICCHQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1Z,4R,6Z)-1-[(N-{(2Z,4Z,6E,8R)-8-[(2R)-5-Methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methyl-2,4,6-nonatrienoyl}-3-methylvalyl)amino]-1,6-octadien-4-yl hydrogen carbonimidate | C31H45N3O7

(1Z,4R,6Z)-1-[(N-{(2Z,4Z,6E,8R)-8-[(2R)-5-Methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methyl-2,4,6-nonatrienoyl}-3-methylvalyl)amino]-1,6-octadien-4-yl hydrogen carbonimidate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID68025365

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1Z,4R,6Z)-1-[(N-{(2Z,4Z,6E,8R)-8-[(2R)-5-Methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methyl-2,4,6-nonatrienoyl}-3-methylvalyl)amino]-1,6-octadien-4-yl hydrogen carbonimidate [ACD/IUPAC Name]
(1Z,4R,6Z)-1-[(N-{(2Z,4Z,6E,8R)-8-[(2R)-5-Methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methyl-2,4,6-nonatrienoyl}-3-methylvalyl)amino]-1,6-octadien-4-ylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
2,4,6-Nonatrienamide, 8-[(2R)-3,6-dihydro-5-methoxy-6-oxo-2H-pyran-2-yl]-N-[1-[[[(1Z,4R,6Z)-4-(hydroxyiminomethoxy)-1,6-octadien-1-yl]amino]carbonyl]-2,2-dimethylpropyl]-6-methyl-, (2Z,4Z,6E,8R)- [ACD/Index Name]
Hydrogénocarbonimidate de (1Z,4R,6Z)-1-[(N-{(2Z,4Z,6E,8R)-8-[(2R)-5-méthoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-méthyl-2,4,6-nonatrienoyl}-3-méthylvalyl)amino]-1,6-octadién-4-yle [French] [ACD/IUPAC Name]
PM-060184

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 147 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 516.3±7.0 cm3

Click to predict properties on the Chemicalize site


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