A-54556B

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A-54556B
Category Antibiotics
Catalog number BBF-04520
CAS 1629166-56-8
Molecular Weight 704.81
Molecular Formula C37H48N6O8
Purity ≥98%

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Description

A-54556B is a natural acyldepsipeptide (ADEP) antibiotic isolated from the fermentation broth of S. hawaiiensis. It has activity against Gram-positive bacteria and many strains of anaerobic bacteria.

Specification

Related CAS 95398-44-0
Synonyms A-54556 Factor B; Antibiotic A-54556B; N-​[(2E,​4E,​6E)​-​1-​Oxo-​2,​4,​6-​octatrien-​1-​yl]​-​L-​phenylalanyl-​L-​seryl-​L-​prolyl-​N-​methyl-​L-​alanyl-​L-​alanyl-​L-​proline (6→2)​-​lactone
Storage Store at -20°C
IUPAC Name (2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,13S,16S,19S)-13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
Canonical SMILES CC=CC=CC=CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2COC(=O)C3CCCN3C(=O)C(NC(=O)C(N(C(=O)C4CCCN4C2=O)C)C)C
InChI InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(
InChI Key UMDXSUFDIAGURI-YTFXDNJKSA-N

Properties

Appearance Powder
Antibiotic Activity Spectrum Gram-positive bacteria
Boiling Point 1092.3±65.0°C at 760 mmHg
Density 1.3±0.1 g/cm3
Solubility Soluble in DMF, DMSO, Ethanol, Methanol

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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