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1041389-29-0

1041389-29-0 structural image
Product Name: (3S,4aS,8aS)-N-(1,1-DiMethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-Methylbenzoyl)aMino]-4-(phenylsulfonyl)butyl]-3-isoquinolinecarboxaMide
Formula: C32H45N3O6S
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COMPUTED DESCRIPTORS

Molecular Weight 599.8 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 10
Exact Mass 599.30290734 g/mol
Monoisotopic Mass 599.30290734 g/mol
Topological Polar Surface Area 144 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes