Mycothione

Molecular Formula: C₃₄H₅₈N₄O₂₄S₂

InChI: InChI=1/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13-,14?,15+,16+,17+,18+,19?,20?,21-,22+,23-,24+,25+,26+,27+,28+,29?,30?,33+,34+/m0/s1/f/h35-38H

InChIKey: InChIKey=YKSIHFDRGQQOCJ-MFMJIIHZDB
SMILES: CC(=O)NC(CSSCC(C(=O)NC1C(C(C(OC1OC2C(C(C(C(C2O)O)O)O)O)CO)O)O)NC(=O)C)C(=O)NC3C(C(C(OC3OC4C(C(C(C(C4O)O)O)O)O)CO)O)O

Names:
    C11502
    Mycothione
    (2S)-2-acetamido-3-[(2S)-2-acetamido-2-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-oxan-3-yl]carbamoyl]ethyl]disulfanyl-N-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-oxan-3-yl]propanamide

Registries:
    PubChem CID 443236
    PubChem ID 13672