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Chemical structure of Polymyxin B nonapeptide

GC33369

Polymyxin B nonapeptide

Also known as (2S,3R)-2-amino-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide

Polymyxin B nonapeptide, as a cationic cyclic peptide derived from polymyxin B, can increase the permeability of the outer membrane (OM) of GNB toward hydrophobic antibiotics probably

ChemicalCAS86408-36-8MW963.13FormulaC43H74N14O11
CAS number
86408-36-8
Molecular weight
963.13
Formula
C43H74N14O11
Solubility
Water： ≥ 100 mg/mL (103·83 mM); DMSO： 16·67 mg/mL (17·31 mM)
InChIKey
PYHYGIPVYYRJHU-QWDNBKTCSA-N
Catalogue number
GC33369
Brand
GLPBIO
Computed properties PubChem CID 123978 · XLogP -4.8 · TPSA 432 Ų · H-bond donors 16
XLogP
-4.8
TPSA
432 Ų
H-bond donors
16
H-bond acceptors
16
Rotatable bonds
18
Heavy atoms
68

SMILES C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)N)O

Computed descriptors from PubChem (CID 123978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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