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
636392
SMILES
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O
Canonical SMILES
CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1

Names & Synonyms

  • Pentetreotide
  • Pentetoreotide
  • DTPA-octreotide
  • DTPA-SMS
  • AC1LCS5N
  • Pentetreotide (JAN/INN)
  • Pentetreotide [BAN:INN]
  • Pentetreotide [INN:BAN]
  • [DTPA-D-Phe1]-octreotide
  • SCHEMBL1651014
  • SCHEMBL23309836
  • UNII-G083B71P98
  • SDZ 215-811s
  • C63H87N13O19S2
  • CID636392
  • SDZ 215-811
  • C63-H87-N13-O19-S2
  • LS-187384
  • FT-0701094
  • NS00120757
  • 138661-02-6
  • D01859
  • 117748-EP2272827A1
  • 117748-EP2298768A1
  • 2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(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