Pneumocandin B0
Pneumocandin B0 is the starting molecule for the first semisynthetic echinocandin antifungal drug, caspofungin acetate.
| Catalog Number | Z10-101-159 |
| Research Area | Pneumocandin B0 is a potent antifungal and inhibitor of Β-(1,3)-D-glucan synthesis. |
| Molecular Formula | C50H80N8O17 |
| CAS# | 135575-42-7 |
| Purity | >98% |
| Inchi | InChI=1S/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)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1 |
| Inchi Key | DQXPFAADCTZLNL-ZESADUFFSA-N |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=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@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O |
| Size | Inquiry |
| Supplier Page | https://www.creative-peptides.com/product/pneumocandin-b0-item-z10-101-159-34591.html |