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Chemical structure of JB-95

GC76601

JB-95

Also known as 1-[3-[(3R,9S,12S,15S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45S)-21-(4-aminobutyl)-30,36-bis[(2S)-butan-2-yl]-9,12,18,27,33-pentakis(3-carbamimidamidopropyl)-24,42-bis(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-2,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazatricyclo[43.3.0.03,7]octatetracontan-39-yl]propyl]guanidine

JB-95, a β-hairpin macrocyclic peptide, exhibits potent antimicrobial activity against Escherichia coli

ChemicalCAS1873323-60-4MW1971.41FormulaC92H151N35O14
CAS number
1873323-60-4
Molecular weight
1971.41
Formula
C92H151N35O14
Solubility
DMSO： 100 mg/mL (50·73 mM; Need ultrasonic)
InChIKey
PBWUFSKENUQBOP-XYWRYERPSA-N
Catalogue number
GC76601
Brand
GLPBIO
Computed properties PubChem CID 169494554 · XLogP -0.7 · TPSA 819 Ų · H-bond donors 33
XLogP
-0.7
TPSA
819 Ų
H-bond donors
33
H-bond acceptors
21
Rotatable bonds
44
Heavy atoms
141

SMILES CC[C@H](C)[C@H]1C(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC4=CNC5=CC=CC=C54)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCCCN)CC6=CNC7=CC=CC=C76)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N

Computed descriptors from PubChem (CID 169494554), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.