Found 43 results

Search term: MF = 'C_{36}H_{42}N_{6}O_{5}'
ChemSpider 2D Image | N-{[(1R,2R)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-tryptophyl-L-phenylalaninamide | C36H42N6O5

N-{[(1R,2R)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-tryptophyl-L-phenylalaninamide

  • Molecular FormulaC36H42N6O5
  • Average mass638.756 Da
  • Monoisotopic mass638.321655 Da
  • ChemSpider ID23342250

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[[(1R,2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]cyclohexyl]carbonyl]-L-tryptophyl- [ACD/Index Name]
N-{[(1R,2R)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-tryptophyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(1R,2R)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-tryptophyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(1R,2R)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-tryptophyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclohexanecarboxamide
CHEMBL449748
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449748/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1080.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.1±3.0 kJ/mol
Flash Point: 607.5±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 164.25
Polar Surface Area: 192 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 478.9±5.0 cm3

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