Chemical Compound

Caspofungin acetate

CAS Registry Number 179463-17-3
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Caspofungin acetate chemical structure
Primary Record

Caspofungin acetate

In stock
3,120 g
Purity
98.6 %
CAS
179463-17-3

Compound Identifiers & Properties

CAS
179463-17-3
PubChem CID
138395106
SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
Canonical SMILES
CC(=O)O.CC(=O)O.CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)C([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C([C@@H](C)O)NC1=O

Names & Synonyms

  • Caspofungin acetate
  • DTXSID60904590
  • 179463-17-3
  • Acetic acid--(10R,12S)-N-{(2R,9S,11R,12R,14aS,15S,20S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide (2/1)