Chemical Compound

SCHEMBL27172927

SCHEMBL27172927 chemical structure
Primary Record

SCHEMBL27172927

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
171763829
SMILES
CCCC[C@H]1C(=O)N(C(C(=O)N[C@H](C(=O)N([C@@H](CC(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N3CC[C@H]3C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N1)CC4=CC(=CC=C4)I)C)CC5CCCC5)C)C)C)[C@@H](C)CC)C(=O)N6CCCCC6)C)CC(C)C)(C)C)C
Canonical SMILES
CCCC[C@@H]1NC(=O)[C@H](Cc2cccc(I)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCCN2C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](CC(C)C)NC(=O)C(C)(C)N(C)C1=O

Names & Synonyms

  • SCHEMBL27172927
  • BDBM672222
  • US20240148821, Compound 1424
  • (2aS,5S,11S,14S,20S,23S,30aS,33S,36S)-33-((S)-sec-butyl)-14-butyl-5-(cyclopentylmethyl)-11-(3-iodobenzyl)-20-isobutyl-4,7,16,17,17,22,35,36-octamethyl-23-(piperidine-1-carbonyl)tetracosahydroazeto[1,2-j]pyrido[1,2-a][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-3,6,9,12,15,18,21,25,31,34,37(1H,22H,27H)-undecaone