Chemical Compound

KASSININ

KASSININ chemical structure
Primary Record

KASSININ

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102161338
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)O

Names & Synonyms

  • KASSININ
  • J2.794.993B
  • (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-methylbutanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid