ChemSpider 2D Image | (2R)-4-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-({(2S)-4-methyl-1-[(N-methyl-L-phenylalanyl)amino]-1-oxo-2-pentanyl}amino)butanoic acid | C32H36N4O6

(2R)-4-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-({(2S)-4-methyl-1-[(N-methyl-L-phenylalanyl)amino]-1-oxo-2-pentanyl}amino)butanoic acid

  • Molecular FormulaC32H36N4O6
  • Average mass572.651 Da
  • Monoisotopic mass572.263489 Da
  • ChemSpider ID171087

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-4-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-({(2S)-4-methyl-1-[(N-methyl-L-phenylalanyl)amino]-1-oxo-2-pentanyl}amino)butanoic acid [ACD/IUPAC Name]
(2R)-4-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-({(2S)-4-methyl-1-[(N-methyl-L-phenylalanyl)amino]-1-oxo-2-pentanyl}amino)butansäure [German] [ACD/IUPAC Name]
2H-Benz[f]isoindole-2-butanoic acid, 1,3-dihydro-α-[[(1S)-3-methyl-1-[[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]carbonyl]butyl]amino]-1,3-dioxo-, (αR)- [ACD/Index Name]
Acide (2R)-4-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-({(2S)-4-méthyl-1-[(N-méthyl-L-phénylalanyl)amino]-1-oxo-2-pentanyl}amino)butanoïque [French] [ACD/IUPAC Name]
(2R)-4-{1,3-DIOXOBENZO[F]ISOINDOL-2-YL}-2-{[(2S)-4-METHYL-1-[(2S)-2-(METHYLAMINO)-3-PHENYLPROPANAMIDO]-1-OXOPENTAN-2-YL]AMINO}BUTANOIC ACID
(N-(1-carboxy-3-(1,3-dihydro-1,3-dioxo-2H-benz(f)isoindol-2-yl)propyl)-leucyl)-N-methyl-phenylalanin
154296-67-0 [RN]
Cddbip-leu-phe-NH2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.5±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.04
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 6.44
Polar Surface Area: 145 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 449.9±3.0 cm3

Click to predict properties on the Chemicalize site


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