ChemSpider 2D Image | N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-Nalpha-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-phenylalaninamide | C40H57N5O7

N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-Nα-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-phenylalaninamide

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID34559492
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Phenylalaninamide, N-[(2S)-2-[[2-(4-morpholinyl)acetyl]amino]-1-oxo-4-phenylbutyl]-L-leucyl-Nα-[(1S)-3-methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]- [ACD/Index Name]
N-[(2S)-2-{[2-(4-Morpholinyl)acétyl]amino}-4-phénylbutanoyl]-L-leucyl-Nα-{(2S)-4-méthyl-1-[(2R)-2-méthyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-Nα-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-Nα-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-phenylalaninamide [ACD/IUPAC Name]
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
(S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-4-methyl-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
868540-17-4 [RN]
Carfilzomib (PR-171)
MFCD28142641
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 935.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 197.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3432.97
ACD/KOC (pH 5.5): 11329.05
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3971.49
ACD/KOC (pH 7.4): 13106.22
Polar Surface Area: 164 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 612.9±3.0 cm3

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