Primary Record
Icatibant acetate
- In stock
- 6,312 g
- Purity
- 98.3 %
- CAS
- 138614-30-9
Compound Identifiers & Properties
- CAS
- 138614-30-9
- PubChem CID
- 177678981
- SMILES
- CC(=O)O.C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
- Canonical SMILES
- CC(=O)O.NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21
Names & Synonyms
- Icatibant acetate
- (2S)-2-((2S,3aS,7aS)-1-(2-((S)-2-((S)-2-(2-((2S,4R)-1-((S)-1-((S)-2-((R)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanamido)-3-hydroxypropanoyl)-1,2,3,4-t
- 138614-30-9