Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-

Molecular Formula: C₅₀H₈₀N₈O₁₇

InChI: InChI=1/C50H80N8O17/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(66)52-32-21-36(64)47(72)56-46(71)34-20-31(62)24-58(34)50(75)40(35(63)22-37(51)65)54-48(73)41(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)33-19-30(61)23-57(33)49(74)39(27(4)59)53-44(32)69/h14-17,25-27,30-36,39-43,47,59-64,67-68,72H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,73)(H,55,70)(H,56,71)/t25u,26u,27-,30-,31-,32?,33+,34+,35-,36+,39+,40+,41+,42-,43?,47-/m1/s1/f/h52-56H,51H2

InChIKey: InChIKey=IPMHTGKXJQHTQV-FCLTYASYDB
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2CC(CN2C(=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:
    Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
    Pneumocandin C(0)
    Pneumocandin C0
    144074-96-4

Registries:
    PubChem CID 72974
    PubChem ID 215216