Chemical Compound

Pneumocandin B2

Pneumocandin B2 chemical structure
Primary Record

Pneumocandin B2

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
460703
SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CCCNC(=O)[C@@H]2[C@H](CCN2C(=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
Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CCCNC(=O)[C@@H]2[C@@H](O)CCN2C(=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 B2
  • AC1LA2UT
  • AIDS027827
  • CID460703
  • 10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,25-dihydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0~9,13~]heptacos-18-yl]-amide
  • N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-dihydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide