FR179642 (hydrate)

FR179642 is the cyclic peptide nucleus of the lipopeptide antifungal FR901379 and an intermediate in the synthesis of the echinocandin antifungal FK463 (micafungin, Cay-18009).Formal Name: 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-pneumocandin A0, hydrate. CAS Number: 1392483-15-6. Molecular Formula: C35H52N8O20S . XH2O. Formula Weight: 936.9. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: slightly, warmed, Methanol: slightly, warmed. SMILES: O=C(N[C@]([C@H](O)CC(N)=O)([H])C(N1[C@@](C(N[C@H](O)[C@H](O)C[C@@H]2N)=O)([H])[C@@H](O)[C@@H](C)C1)=O)[C@@]([C@H](O)[C@@H](O)C3=CC=C(O)C(OS(O)(=O)=O)=C3)([H])NC([C@@]4([H])N(C([C@@]([C@H](O)C)([H])NC2=O)=O)C[C@H](O)C4)=O.O. InChi Code: InChI=1S/C35H52N8O20S.H2O/c1-11-9-43-25(26(11)50)33(57)41-31(55)19(48)7-15(36)29(53)38-22(12(2)44)34(58)42-10-14(45)6-16(42)30(54)40-24(32(56)39-23(35(43)59)18(47)8-21(37)49)28(52)27(51)13-3-4-17(46)20(5-13)63-64(60,61)62,/h3-5,11-12,14-16,18-19,22-28,31,44-48,50-52,55H,6-10,36H2,1-2H3,(H2,37,49)(H,38,53)(H,39,56)(H,40,54)(H,41,57)(H,60,61,62),1H2/t11-,12+,14+,15-,16-,18+,19+,22-,23-,24-,25-,26-,27-,28-,31+,/m0./s1. InChi Key: NRZYGLYWNMDXAW-IOAKHOJDSA-N.