ChemSpider 2D Image | 4-{N-[(Benzyloxy)carbonyl]-L-valyl-L-alanyl-L-alpha-aspartyl}-1,3-oxazole | C23H28N4O8

4-{N-[(Benzyloxy)carbonyl]-L-valyl-L-alanyl-L-α-aspartyl}-1,3-oxazole

  • Molecular FormulaC23H28N4O8
  • Average mass488.490 Da
  • Monoisotopic mass488.190704 Da
  • ChemSpider ID23197933

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-{N-[(Benzyloxy)carbonyl]-L-valyl-L-alanyl-L-α-asparagyl}-1,3-oxazol [German] [ACD/IUPAC Name]
4-{N-[(Benzyloxy)carbonyl]-L-valyl-L-alanyl-L-α-aspartyl}-1,3-oxazole [ACD/IUPAC Name]
4-{N-[(Benzyloxy)carbonyl]-L-valyl-L-alanyl-L-α-aspartyl}-1,3-oxazole [French] [ACD/IUPAC Name]
L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-2-(4-oxazolyl)-2-oxoethyl]- [ACD/Index Name]
3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxazol-4-yl-4-oxo-butyric acid
CHEMBL116228

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

Density: 1.3±0.1 g/cm3
Boiling Point: 832.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 457.2±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

Click to predict properties on the Chemicalize site


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