ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-Isoleucyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide | C25H35F2N3O7

N-[(Benzyloxy)carbonyl]-L-Isoleucyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide

  • Molecular FormulaC25H35F2N3O7
  • Average mass527.558 Da
  • Monoisotopic mass527.244324 Da
  • ChemSpider ID427619

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[(1S)-1-(carboxycarbonyl)-3,3-difluoropropyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-Isoleucyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide
N-[(Benzyloxy)carbonyl]-L-isoleucyl-N-[(2S)-1-carboxy-4,4-difluor-1-oxo-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-isoleucyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxo-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-isoleucyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxo-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxobutan-2-yl]-L-leucinamide
(S)-3-[(S)-2-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
CHEMBL444346
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444346/
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N1-[(1S)-1-(carboxycarbonyl)-3,3-difluoropropyl]-

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

AIDS110644 [DBID]
AIDS-110644 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.508
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 431.9±3.0 cm3

Click to predict properties on the Chemicalize site


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