Synonyms:

Pneumocandin B0
纽莫康定 B0;Pneumocardin B0;pneumocandin B(0);B0 PneuMocandin B0;Caspofungin PneuMocandin B0 IMpurity;Caspofungin Intermediate;neumocandin B0;CFA

Canonical SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O

Density:1.41±0.1g/cm3(Predicted)

Boiling Point:1442.9±65.0°C(Predicted)

PKA: 9.86±0.26(Predicted)