Chemical Compound

J3.324.561K

J3.324.561K chemical structure
Primary Record

J3.324.561K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177392623
SMILES
CCC(C)C1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NCC(=O)NC5CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N6CCCC6C(=O)N1)CC7=CNC8=CC=CC=C87)C(C)O)NC(=O)C(NC5=O)CO)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)N3)C(C)O)CC9=CC=CC=C9)C(C)O)CCC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C(C)O)CCCNC(=N)N)CC(=O)O)CC(C)C)C(C)C)C(C)O)CC(=O)N
Canonical SMILES
CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)O)NC(=O)C2CSSCC3NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C4CSSCC(NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)O)NC(=O)C(CC(N)=O)NC(=O)C(CSSCC(NC1=O)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)N4)NC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC3=O)C(=O)NC(CO)C(=O)N2

Names & Synonyms

  • J3.324.561K
  • 3-[82-benzyl-31-(butan-2-yl)-22-(3-carbamimidamidopropyl)-67-(carbamoylmethyl)-19-(carboxymethyl)-25,43,64,73,88-pentakis(1-hydroxyethyl)-49-(hydroxymethyl)-40-[(1H-indol-3-yl)methyl]-13-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,63,66,69,72,75,78,81,84,87,90,93,96-nonacosaoxo-4-(propan-2-yl)-98,99,102,103,106,107-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92,95-nonacosaazaheptacyclo[50.44.4.428,70.446,85.07,11.034,38.058,62]108n-91-yl]propanoic acid
  • Cyclo[Gly-Leu-Pro-Val-Cys(1)-Gly-Glu-Thr-Cys(2)-Phe-Gly-Gly-Thr-Cys(3)-Asn-Thr-Pro-Gly-Cys(1)-Ser-Cys(2)-Thr-Trp-Pro-Ile-Cys(3)-Thr-Arg-Asp-]
  • KB2