ChemSpider 2D Image | N-Acetyl-L-valyl-O-benzyl-L-threonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydro-2(1H)-phthalazinyl)-3-oxo-1-phenyl-2-butanyl]-L-leucinamide | C42H52N6O8

N-Acetyl-L-valyl-O-benzyl-L-threonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydro-2(1H)-phthalazinyl)-3-oxo-1-phenyl-2-butanyl]-L-leucinamide

  • Molecular FormulaC42H52N6O8
  • Average mass768.898 Da
  • Monoisotopic mass768.384644 Da
  • ChemSpider ID17331762
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Leucinamide, N-acetyl-L-valyl-O-(phenylmethyl)-L-threonyl-N-[(1S)-3-(3,4-dihydro-1,4-dioxo-2(1H)-phthalazinyl)-2-oxo-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-Acétyl-L-valyl-O-benzyl-L-thréonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydro-2(1H)-phtalazinyl)-3-oxo-1-phényl-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-Acetyl-L-valyl-O-benzyl-L-threonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydro-2(1H)-phthalazinyl)-3-oxo-1-phenyl-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-valyl-O-benzyl-L-threonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydro-2(1H)-phthalazinyl)-3-oxo-1-phenyl-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-acetyl-L-valyl-O-benzyl-L-threonyl-N-[(2S)-4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxo-1-phenylbutan-2-yl]-L-leucinamide
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-N-((S)-4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxo-1-phenylbutan-2-yl)-4-methylpentanamide

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: 1.568
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 714.46
ACD/KOC (pH 5.5): 3838.82
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 713.36
ACD/KOC (pH 7.4): 3832.90
Polar Surface Area: 192 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 635.3±3.0 cm3

Click to predict properties on the Chemicalize site






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