Chemical Compound

Dotatate

CAS Registry Number 177943-88-3
Dotatate chemical structure
Primary Record

Dotatate

In stock
6,165 g
Purity
98.9 %
CAS
177943-88-3

Compound Identifiers & Properties

CAS
177943-88-3
PubChem CID
168013149
SMILES
C[C@H]([C@H]1C(=O)NC(CSSCC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O
Canonical SMILES
C[C@@H](O)[C@H](NC(=O)C1CSSCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O

Names & Synonyms

  • Dotatate
  • AKOS040757019
  • 177943-88-3