ChemSpider 2D Image | tert-butyl (betaS)-beta-methyl-N-[(3-phenylpropyl)carbamoyl]-D-tryptophyl-D-lysinate | C32H45N5O4

tert-butyl (βS)-β-methyl-N-[(3-phenylpropyl)carbamoyl]-D-tryptophyl-D-lysinate

  • Molecular FormulaC32H45N5O4
  • Average mass563.731 Da
  • Monoisotopic mass563.347168 Da
  • ChemSpider ID23220001

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(βS)-β-Méthyl-N-[(3-phénylpropyl)carbamoyl]-D-tryptophyl-D-lysinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (βS)-β-methyl-N-[(3-phenylpropyl)carbamoyl]-D-tryptophyl-D-lysinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(βS)-β-methyl-N-[(3-phenylpropyl)carbamoyl]-D-tryptophyl-D-lysinat [German] [ACD/IUPAC Name]
D-Lysine, (βS)-β-methyl-N-[[(3-phenylpropyl)amino]carbonyl]-D-tryptophyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl (βS)-β-methyl-N-[(3-phenylpropyl)carbamoyl]-D-tryptophyl-D-lysinate
(R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[3-(3-phenyl-propyl)-ureido]-butyrylamino}-hexanoic acid tert-butyl ester
CHEMBL355923
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355923/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.7±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 7.14
Polar Surface Area: 138 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 488.9±3.0 cm3

Click to predict properties on the Chemicalize site


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