Chemical Compound

Linaclotide

CAS Registry Number 851199-59-2
Linaclotide chemical structure
Primary Record

Linaclotide

In stock
6,778 g
Purity
98.1 %
CAS
851199-59-2

Compound Identifiers & Properties

CAS
851199-59-2
PubChem CID
132451758
SMILES
C[C@H]1C(=O)N[C@H]2C(CC([C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O)S)S
Canonical SMILES
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC1=O)C(S)CC3S)C(=O)N2

Names & Synonyms

  • Linaclotide
  • 851199-59-2