Chemical Compound

J2.138.534D

J2.138.534D chemical structure
Primary Record

J2.138.534D

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177479314
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)NC(=O)C(NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)O)CCCCN)CO)[C@@H](C)CC)[C@@H](C)CC
Canonical SMILES
CC[C@H](C)C1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2

Names & Synonyms

  • J2.138.534D
  • (1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,37S,43S,49S,52S,55S,58S)-25,55-bis(4-aminobutyl)-4,19,34,49-tetrakis[(2S)-butan-2-yl]-28,58-bis[(1R)-1-hydroxyethyl]-22,52-bis(hydroxymethyl)-62,63-dithia-2,5,11,17,20,23,26,29,32,35,41,47,50,53,56,59-hexadecaazahexacyclo[29.29.4.07,11.013,17.037,41.043,47]tetrahexacontane-3,6,12,18,21,24,27,30,33,36,42,48,51,54,57,60-hexadecone
  • Cyclo[L-Ile-L-Pro-L-Pro-L-Ile-L-Cys(1)-L-Thr-L-Lys-L-Ser-L-Ile-L-Pro-L-Pro-L-Ile-L-Cys(1)-L-Thr-L-Lys-L-Ser-]