Chemical Compound

JB-95

JB-95 chemical structure
Primary Record

JB-95

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177472236
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
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Names & Synonyms

  • JB-95
  • J3.579.505G
  • Cyclo(L-Arg-L-Trp-L-Lys-L-Arg-L-Leu-L-Arg-L-Arg-D-Pro-L-Pro-L-Trp-L-Arg-L-Ile-L-Arg-L-Ile-)
  • N-{3-[(3R,9S,12S,15S,18S,21S,24S,27S,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-yl)methyl]-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-tetradecaazatricyclo[43.3.0.03,7]octatetracontan-39-yl]propyl}guanidine