Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | (2S)-2-({3-[({(1S,3aR,6aS)-2-[(2S)-3-Methyl-2-({(2S)-3-methyl-2-[(2-pyrazinylcarbonyl)amino]butanoyl}amino)butanoyl]octahydrocyclopenta[c]pyrrol-1-yl}carbonyl)amino]-2-oxopentanoyl}amino)-3-phenylprop anoic acid | C37H49N7O8

(2S)-2-({3-[({(1S,3aR,6aS)-2-[(2S)-3-Methyl-2-({(2S)-3-methyl-2-[(2-pyrazinylcarbonyl)amino]butanoyl}amino)butanoyl]octahydrocyclopenta[c]pyrrol-1-yl}carbonyl)amino]-2-oxopentanoyl}amino)-3-phenylprop anoic acid

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID2279016

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-2-({3-[({(1S,3aR,6aS)-2-[(2S)-3-Methyl-2-({(2S)-3-methyl-2-[(2-pyrazinylcarbonyl)amino]butanoyl}amino)butanoyl]octahydrocyclopenta[c]pyrrol-1-yl}carbonyl)amino]-2-oxopentanoyl}amino)-3-phenylprop anoic acid [ACD/IUPAC Name]
(2S)-2-({3-[({(1S,3aR,6aS)-2-[(2S)-3-Methyl-2-({(2S)-3-methyl-2-[(2-pyrazinylcarbonyl)amino]butanoyl}amino)butanoyl]octahydrocyclopenta[c]pyrrol-1-yl}carbonyl)amino]-2-oxopentanoyl}amino)-3-phenylprop ansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({3-[({(1S,3aR,6aS)-2-[(2S)-3-méthyl-2-({(2S)-3-méthyl-2-[(2-pyrazinylcarbonyl)amino]butanoyl}amino)butanoyl]octahydrocyclopenta[c]pyrrol-1-yl}carbonyl)amino]-2-oxopentanoyl}amino)-3-phén ylpropanoïque [French] [ACD/IUPAC Name]
2-(3-{[2-(3-Methyl-2-{3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carbonyl]-amino}-2-oxo-pentanoylamino)-3-phenyl-propionic acid

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

AIDS211007 [DBID]
AIDS-211007 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 570.7±3.0 cm3

Click to predict properties on the Chemicalize site


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