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1292296-09-3

1292296-09-3 structural image
Product Name: (3S,8R,9S,12S)-3,12-Bis(1,1-diMethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-,2,5,6,10,13-pentaazatetradecanedioic Acid 1,14-DiMethyl Ester
Formula: C38H52N6O7
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COMPUTED DESCRIPTORS

Molecular Weight 704.9 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 18
Exact Mass 704.38974802 g/mol
Monoisotopic Mass 704.38974802 g/mol
Topological Polar Surface Area 171 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1110
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes