Pneumocandin Bo

Molecular Formula: C₅₀H₈₀N₈O₁₇

InChI: InChI=1/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25u,26u,27-,30+,31-,32-,33-,34-,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1/f/h52-56H,51H2

InChIKey: InChIKey=DQXPFAADCTZLNL-OAHOAOQGDH
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

Names:
    L 688,786
    L 688786
    L-688,786
    L-688786
    Pneumocandin Bo
    Pneumocandin B(0)
    Pneumocardin B(0)
    135575-42-7

Registries:
    PubChem CID 72475
    PubChem ID 214741