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122454-52-8

122454-52-8 structural image
Product Name: (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)butyl]aMino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid Benzyl Ester
Formula: C26H38N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 458.6 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 458.27807232 g/mol
Monoisotopic Mass 458.27807232 g/mol
Topological Polar Surface Area 84.9 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 663
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 5
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes