ChemSpider 2D Image | L-Isoleucyl-L-prolyl-N-[(2R)-1-(4-methoxyphenyl)-3-oxo-2-propanyl]-4-methylene-L-norvalinamide | C27H40N4O5

L-Isoleucyl-L-prolyl-N-[(2R)-1-(4-methoxyphenyl)-3-oxo-2-propanyl]-4-methylene-L-norvalinamide

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID168581

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Isoleucyl-L-prolyl-N-[(2R)-1-(4-methoxyphenyl)-3-oxo-2-propanyl]-4-methylene-L-norvalinamide [ACD/IUPAC Name]
L-Isoleucyl-L-prolyl-N-[(2R)-1-(4-méthoxyphényl)-3-oxo-2-propanyl]-4-méthylène-L-norvalinamide [French] [ACD/IUPAC Name]
L-Isoleucyl-L-prolyl-N-[(2R)-1-(4-methoxyphenyl)-3-oxo-2-propanyl]-4-methylen-L-norvalinamid [German] [ACD/IUPAC Name]
L-Norvalinamide, L-isoleucyl-L-prolyl-N-[(1R)-1-formyl-2-(4-methoxyphenyl)ethyl]-4-methylene- [ACD/Index Name]
(2S)-2-{[(2S)-1-[(2S,3S)-2-AMINO-3-METHYLPENTANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-N-[(2R)-1-(4-METHOXYPHENYL)-3-OXOPROPAN-2-YL]-4-METHYLPENT-4-ENAMIDE
68857-04-5 [RN]
84255-86-7 [RN]
Cyclic(L-leucyl-L-prolyl-L-leucyl-O-methyl-D-tyrosyl)
Cyclo(D-tyr(Me)-L-ile-L-pro-D-leu)
Cyclo(D-tyr(Me)-L-ile-L-pro-L-leu)
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 30.91
Polar Surface Area: 131 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

Click to predict properties on the Chemicalize site


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