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
165715153
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)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)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CSSCC(C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

Names & Synonyms

  • Pentetreotide
  • [DTPA-D-Phe1]octreotide
  • Sdz-215-811
  • EBC-27557
  • J561.801K
  • EN300-20602858
  • 2-{[2-({2-[({[(1R)-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-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl](carboxymethyl)amino}acetic acid
  • 138661-02-6
  • N-[2-[[2-[Bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)-Gly-D-Phe-L-Cys(1)-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys(1)-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-NH2