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52329-53-0

52329-53-0 structural image
Product Name: Hydroxypepstatin
Formula: C34H63N5O10
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COMPUTED DESCRIPTORS

Molecular Weight 701.9 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 25
Exact Mass 701.45749322 g/mol
Monoisotopic Mass 701.45749322 g/mol
Topological Polar Surface Area 258 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid is a natural product found in Streptomyces with data available.