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Search term: PCOGTOLPOHQMSX-PMOQBDJRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl N-[(3R)-3-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-2-oxo-4-phenylbutanoyl]-L-alaninate | C28H35N3O7

Methyl N-[(3R)-3-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-2-oxo-4-phenylbutanoyl]-L-alaninate

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID23186696

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alanine, N-[(3R)-3-[[(2S)-4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-1,2-dioxo-4-phenylbutyl]-, methyl ester [ACD/Index Name]
Methyl N-[(3R)-3-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-2-oxo-4-phenylbutanoyl]-L-alaninate [ACD/IUPAC Name]
Methyl-N-[(3R)-3-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-2-oxo-4-phenylbutanoyl]-L-alaninat [German] [ACD/IUPAC Name]
N-[(3R)-3-({N-[(Benzyloxy)carbonyl]-L-leucyl}amino)-2-oxo-4-phénylbutanoyl]-L-alaninate de méthyle [French] [ACD/IUPAC Name]
(S)-2-[(R)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-4-phenyl-butyrylamino]-propionic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL321936/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.546
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.01
ACD/KOC (pH 5.5): 1560.70
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.66
ACD/KOC (pH 7.4): 1558.02
Polar Surface Area: 140 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

Click to predict properties on the Chemicalize site


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