Mycothiol disulfide

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)/f/h35-38H

InChIKey: InChIKey=YKSIHFDRGQQOCJ-OBHYMBMGCD
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:
    CPD1G-3
    MSSM
    Mycothiol disulfide
    2-acetamido-3-[2-acetamido-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxy-oxan-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxy-oxan-3-yl]propanamide

Registries:
    PubChem CID 582
    PubChem ID 2545