Found 1 result

Search term: VMLHVWHTPKPEDC-SBJNEVENSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-{1-carboxy-3-oxo-4-[(3-phenylpropanoyl)oxy]-2-butanyl}-L-alaninamide | C30H37N3O9

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

  • Molecular FormulaC30H37N3O9
  • Average mass583.630 Da
  • Monoisotopic mass583.252991 Da
  • ChemSpider ID23197931

  • 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-[1-(carboxymethyl)-2-oxo-3-(1-oxo-3-phenylpropoxy)propyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{1-carboxy-3-oxo-4-[(3-phenylpropanoyl)oxy]-2-butanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{1-carboxy-3-oxo-4-[(3-phenylpropanoyl)oxy]-2-butanyl}-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{1-carboxy-3-oxo-4-[(3-phénylpropanoyl)oxy]-2-butanyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-{1-carboxy-3-oxo-4-[(3-phenylpropanoyl)oxy]butan-2-yl}-L-alaninamide
3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-5-(3-phenyl-propionyloxy)-pentanoic acid
CHEMBL116124

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

Density: 1.2±0.1 g/cm3
Boiling Point: 852.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 26.34
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 468.0±3.0 cm3

Click to predict properties on the Chemicalize site


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