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22601-59-8

22601-59-8 structural image
Product Name: Bacitracin F, 1-[N-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]-l-leucine]-
Formula: C66H103N17O16S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 221 - 225 °C
Solubility Freely soluble
LogP -0.8

COMPUTED DESCRIPTORS

Molecular Weight 1422.7 g/mol
XLogP3 -4.1
Hydrogen Bond Donor Count 17
Hydrogen Bond Acceptor Count 21
Rotatable Bond Count 31
Exact Mass 1421.74894144 g/mol
Monoisotopic Mass 1421.74894144 g/mol
Topological Polar Surface Area 556 Ų
Heavy Atom Count 100
Formal Charge 0
Complexity 2850
Isotope Atom Count 0
Defined Atom Stereocenter Count 15
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

Bacitracin A is a homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin. It has a role as an antibacterial agent and an antimicrobial agent. It is a homodetic cyclic peptide and a polypeptide.