Found 76 results

Search term: MF = 'C_{38}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | N-{[(3R,4S)-4-Phenyl-1-(L-tyrosyl)-3-pyrrolidinyl]carbonyl}-L-phenylalanyl-L-phenylalaninamide | C38H41N5O5

N-{[(3R,4S)-4-Phenyl-1-(L-tyrosyl)-3-pyrrolidinyl]carbonyl}-L-phenylalanyl-L-phenylalaninamide

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID58114497

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[[(3R,4S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-phenyl-3-pyrrolidinyl]carbonyl]-L-phenylalanyl- [ACD/Index Name]
N-{[(3R,4S)-4-Phenyl-1-(L-tyrosyl)-3-pyrrolidinyl]carbonyl}-L-phenylalanyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(3R,4S)-4-Phenyl-1-(L-tyrosyl)-3-pyrrolidinyl]carbonyl}-L-phenylalanyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(3R,4S)-4-Phényl-1-(L-tyrosyl)-3-pyrrolidinyl]carbonyl}-L-phénylalanyl-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1017.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 569.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 182.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 28.94
ACD/KOC (pH 7.4): 228.23
Polar Surface Area: 168 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 506.4±3.0 cm3

Click to predict properties on the Chemicalize site


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