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142689-34-7

142689-34-7 structural image
Product Name: rotihibin A
Formula: C35H63N11O13
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COMPUTED DESCRIPTORS

Molecular Weight 845.9 g/mol
XLogP3 -5.4
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 30
Exact Mass 845.46068111 g/mol
Monoisotopic Mass 845.46068111 g/mol
Topological Polar Surface Area 428 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1450
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide is a natural product found in Streptomyces, Streptomyces halstedii, and Streptomyces graminofaciens with data available.