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Search term: UMZNTAWXTITBIR-JYJNAYRXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Allyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide | C20H28N6O4

1-Allyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide

  • Molecular FormulaC20H28N6O4
  • Average mass416.474 Da
  • Monoisotopic mass416.217194 Da
  • ChemSpider ID23282238

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Allyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamid [German] [ACD/IUPAC Name]
1-Allyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide [ACD/IUPAC Name]
1-Allyl-N-{[(2S)-6-oxo-2-pipéridinyl]carbonyl}-L-histidyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, N-[[(2S)-6-oxo-2-piperidinyl]carbonyl]-1-(2-propen-1-yl)-L-histidyl- [ACD/Index Name]
N-{[(2S)-6-oxopiperidin-2-yl]carbonyl}-1-(prop-2-en-1-yl)-L-histidyl-L-prolinamide
(2S)-1-{(2S)-3-(1-allyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylcarboxamido]propropanoyl}azolane-2-carboxamide
CHEMBL388528
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388528/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 908.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 503.3±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.94
Polar Surface Area: 139 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 289.6±7.0 cm3

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