octréotide

Chemical data

Formula

C49H66N10O10S2

Molecular weight

1019.2 g/mol

IUPAC name

(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

SMILES

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](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

InChIKey

DEQANNDTNATYII-OULOTJBUSA-N

XLogP

1

Polar surface area

383 Ų

H-bond donors

13

H-bond acceptors

14

Formal charge

0

via PubChem

• Octreotide and Octreotide-derived delivery systems.Journal of drug targeting · 2023
• Octreotide.Neonatal network : NN · 2006
• Octreotide.Journal of pain and symptom management · 2010
• Octreotide in hyperinsulinism.The Annals of pharmacotherapy · 1997
• ANNIVERSARY REVIEW: Octreotide, 40 years later.European journal of endocrinology · 2019

via PubMed

Wikidata facts

Mass

1018.44048

via Wikidata · CC0