ChemSpider 2D Image | Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate | C36H52N6O9P

Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate

  • Molecular FormulaC36H52N6O9P
  • Average mass743.806 Da
  • Monoisotopic mass743.352783 Da
  • ChemSpider ID20572427

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Proline, N-[[(1R)-1-[[(2S)-6-ammonio-1-oxo-2-[[[(2S)-1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]hexyl]amino]-2-phenylethyl]hydroxyphosphinyl]-L-alanyl-, methyl ester [ACD/Index Name]
Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate [ACD/IUPAC Name]
Methyl-N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinat [German] [ACD/IUPAC Name]
N-{[(1R)-1-({1-[(Benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phényléthyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate de méthyle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability:
Surface Tension:
Molar Volume:

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