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2098799-80-3

2098799-80-3 structural image
Product Name: (2S,4R)-1-((S)-2-(tert-Butyl)-4-oxo-6,9,12-trioxa-3-azapentadec-14-yn-1-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
Formula: C31H42N4O7S
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COMPUTED DESCRIPTORS

Molecular Weight 614.8 g/mol
XLogP3 2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 16
Exact Mass 614.27742087 g/mol
Monoisotopic Mass 614.27742087 g/mol
Topological Polar Surface Area 168 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 960
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes