ChemSpider 2D Image | N-[(2S)-1-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-4-phenyl-2-butanyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-D-norleucine | C36H42N4O6

N-[(2S)-1-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-4-phenyl-2-butanyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-D-norleucine

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID8591940

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(2S)-1-{[(2S)-4-methyl-1-oxo-1-(phenylamino)pentan-2-yl]amino}-1-oxo-4-phenylbutan-2-yl]-D-norleucine
D-Norleucine, 6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-N-[(1S)-1-[[[(1S)-3-methyl-1-[(phenylamino)carbonyl]butyl]amino]carbonyl]-3-phenylpropyl]- [ACD/Index Name]
N-[(2S)-1-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-4-phenyl-2-butanyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-D-norleucin [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-4-phenyl-2-butanyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-D-norleucine [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-Anilino-4-méthyl-1-oxo-2-pentanyl]amino}-1-oxo-4-phényl-2-butanyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-D-norleucine [French] [ACD/IUPAC Name]
(R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-hexanoic acid
(R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)-1-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-hexanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 880.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.63
ACD/KOC (pH 5.5): 32.67
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 13.63
Polar Surface Area: 145 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 503.8±3.0 cm3

Click to predict properties on the Chemicalize site


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