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Chemical structure of A-54556B

GC42661

A-54556B

Also known as (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

A-54556B is a natural acyldepsipeptide (ADEP) antibiotic isolated from the fermentation broth of S

ChemicalCAS1629166-56-8MW704.8FormulaC37H48N6O8
CAS number
1629166-56-8
Molecular weight
704.8
Formula
C37H48N6O8
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
UMDXSUFDIAGURI-YTFXDNJKSA-N
Catalogue number
GC42661
Brand
GLPBIO
Computed properties PubChem CID 102079728 · XLogP 2.5 · TPSA 175 Ų · H-bond donors 3
XLogP
2.5
TPSA
175 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
51

SMILES C/C=C/C=C/C=C/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]4CCCN4C2=O)C)C)C

Computed descriptors from PubChem (CID 102079728), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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