Antibiotic X-5108

Molecular Formula: C₄₄H₆₂N₂O₁₂

InChI: InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10+,15-13+,18-17+,21-16+,22-14u,26-19-,27-20+/t28u,29-,31u,32u,35+,36+,37+,38u,39?,40?,44?/m1/s1/f/h45H

InChIKey: InChIKey=OUAGRMNQRIXQQD-LZFPQRSBDJ
SMILES: CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(N(C=CC2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O

Names:
    Antibiotic X-5108
    NSC233989
    (2S)-N-[(2E,4E,6R)-7-[(3S,4R)-3,4-dihydroxy-5-[(1E,3E,5Z)-7-(2-hydroxy-1-methyl-4-oxo-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-[2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanamide

Registries:
    PubChem CID 5458445
    PubChem ID 8140661