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Chemical structure of Polymyxin B nonapeptide TFA

GC61196

Polymyxin B nonapeptide TFA

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;pentakis(2,2,2-trifluoroacetic acid)

Polymyxin B nonapeptide TFA is a cyclic peptide obtained from Polymyxin B by proteolytic removal of its terminal amino acyl residue

ChemicalCAS2220175-42-6MW1533.25FormulaC43H74N14O11·5C2HF3O2
CAS number
2220175-42-6
Molecular weight
1533.25
Formula
C43H74N14O11·5C2HF3O2
Solubility
Water： 100 mg/mL (65·22 mM); DMSO ： 50 mg/mL (Need ultrasonic)
InChIKey
XEIKWJLAIULVMY-YNQICIJSSA-N
Catalogue number
GC61196
Brand
GLPBIO
Computed properties PubChem CID 146673007 · TPSA 619 Ų · H-bond donors 21 · H-bond acceptors 41
TPSA
619 Ų
H-bond donors
21
H-bond acceptors
41
Rotatable bonds
18
Heavy atoms
103

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.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 146673007), 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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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.