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Chemical structure of Iboxamycin

GC70838

Iboxamycin

Also known as (4S,5aS,8S,8aR)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-(2-methylpropyl)-3,4,5,5a,6,7,8,8a-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide

Iboxamycin is a potent antibiotic candidate bearing a fused bicyclic amino acid residue

ChemicalCAS2640000-92-4MW495.07FormulaC22H39ClN2O6S
CAS number
2640000-92-4
Molecular weight
495.07
Formula
C22H39ClN2O6S
InChIKey
JPCLUJPDWMBCAA-SUTQZAMLSA-N
Catalogue number
GC70838
Brand
GLPBIO
Computed properties PubChem CID 156613433 · XLogP 2 · TPSA 146 Ų · H-bond donors 5
XLogP
2
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32

SMILES C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl

Computed descriptors from PubChem (CID 156613433), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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