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137219-37-5

137219-37-5 structural image
Product Name: Plitidepsin
Formula: C57H87N7O15
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COMPUTED DESCRIPTORS

Molecular Weight 1110.3 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 15
Exact Mass 1109.62601509 g/mol
Monoisotopic Mass 1109.62601509 g/mol
Topological Polar Surface Area 285 Ų
Heavy Atom Count 79
Formal Charge 0
Complexity 2200
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Plitidepsin is a didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-L-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated from the Mediterranean tunicate Aplidium albicans. It has a role as a marine metabolite, an antineoplastic agent and an anticoronaviral agent.