API reference

Pentetreotide

CAS number
138661-02-6
Molecular formula
C63H87N13O19S2
Molecular weight
1,394.6 g/mol
Pentetreotide — 2D structure
2D structure (PubChem)

About this molecule

an indium-labelled somatostatin analog for imaging of somatostatin receptor positive tumours; OctreoScan is tradename for indium In 111 pentetreotide

Source: Medical Subject Headings (MeSH), via PubChem.

Identifiers

IUPAC name
2-[2-[[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChIKey
CNLWNYCFDMAZCB-HUVROIHYSA-N
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)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
PubChem CID
72128

Also known as

Pentetreotide · DTPA-SMS · SDZ 215-811s · (-)-pentetoreotide · pentetreotidum · Pentetreotida · V09IB01 · Pentetoreotide

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