Chemical Compound

Pneumocandin C(0)

CAS Registry Number 144074-96-4
Pneumocandin C(0) chemical structure
Primary Record

Pneumocandin C(0)

In stock
2,497 g
Purity
98.4 %
CAS
144074-96-4

Compound Identifiers & Properties

CAS
144074-96-4
PubChem CID
72974
SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)C([C@@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O
Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@H](O)[C@@H](O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H](C(O)[C@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O

Names & Synonyms

  • Pneumocandin C(0)
  • Pneumocandin C0
  • Pneumocandin Co
  • AC1L2J1Q
  • SCHEMBL1162942
  • CID72974
  • EX-A3229
  • C50-H80-N8-O17
  • 144074-96-4
  • Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
  • N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
  • N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide