Octreotide

Compound Identifiers & Properties

CAS

79517-01-4

PubChem CID

166639087

SMILES

C[C@H]([C@H]1C(=O)NC(CSSCC(C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O.CC(=O)O

Canonical SMILES

CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)[C@H](N)Cc2ccccc2)CSSCC(C(=O)N[C@H](CO)[C@@H](C)O)NC1=O