Chemical Compound

Pentetreotide

CAS Registry Number 138661-02-6
Pentetreotide chemical structure
Primary Record

Pentetreotide

In stock
4,549 g
Purity
99.3 %
CAS
138661-02-6

Compound Identifiers & Properties

CAS
138661-02-6
PubChem CID
168012239
SMILES
C[C@H]([C@H]1C(=O)N[C@@H](CSSCC(C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

Names & Synonyms

  • Pentetreotide
  • AKOS040742386
  • 138661-02-6