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126049-03-4

126049-03-4 structural image
Product Name: NapsamycinA
Formula: C39H48N8O12S
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COMPUTED DESCRIPTORS

Molecular Weight 852.9 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 15
Exact Mass 852.31124017 g/mol
Monoisotopic Mass 852.31124017 g/mol
Topological Polar Surface Area 319 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1680
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-[[(2S)-1-[[2-amino-3-[(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid is a natural product found in Streptomyces filamentosus and Streptomyces flavidovirens with data available.