Found 43 results

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

N-{[(1R,2S)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-phenylalanyl-L-tryptophanamide

  • Molecular FormulaC36H42N6O5
  • Average mass638.756 Da
  • Monoisotopic mass638.321655 Da
  • ChemSpider ID23258630

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Tryptophanamide, N-[[(1R,2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]cyclohexyl]carbonyl]-L-phenylalanyl- [ACD/Index Name]
N-{[(1R,2S)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-phenylalanyl-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{[(1R,2S)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-phenylalanyl-L-tryptophanamide [ACD/IUPAC Name]
N-{[(1R,2S)-2-(L-Tyrosylamino)cyclohexyl]carbonyl}-L-phénylalanyl-L-tryptophaneamide [French] [ACD/IUPAC Name]
(2S)-2-{[(1R,2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]cyclohexyl]formamido}-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-cyclohexanecarboxylic acid {1-[(S)-(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide
CHEMBL373335

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): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 159.09
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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