ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoyl-2-naphthyl)oxy]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide | C32H36N4O9

N-[(Benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoyl-2-naphthyl)oxy]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID23198112
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[3-[[3-(aminocarbonyl)-2-naphthalenyl]oxy]-1-(carboxymethyl)-2-oxopropyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoyl-2-naphthyl)oxy]-1-carboxy-3-oxo-2-butanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoyl-2-naphthyl)oxy]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoyl-2-naphtyl)oxy]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-{4-[(3-carbamoylnaphthalen-2-yl)oxy]-1-carboxy-3-oxobutan-2-yl}-L-alaninamide
3-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]propanamido]-5-[(3-carbamoylnaphthalen-2-yl)oxy]-4-oxopentanoic acid
CHEMBL115952

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

Density: 1.3±0.1 g/cm3
Boiling Point: 948.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 527.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 24.17
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 475.5±3.0 cm3

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