Chemical Compound

Octreotide acetate

CAS Registry Number 79517-01-4
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Octreotide acetate chemical structure
Primary Record

Octreotide acetate

In stock
2,167 g
Purity
99.6 %
CAS
79517-01-4

Compound Identifiers & Properties

CAS
79517-01-4
PubChem CID
165412375
SMILES
C[C@H](C1C(=O)NC(CSSC[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](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)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSCC(C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

Names & Synonyms

  • Octreotide acetate
  • AS-0781
  • EBC-152331
  • 79517-01-4
  • (4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide; acetic acid