Corynebactin

Molecular Formula: C₃₉H₄₂N₆O₁₈

InChI: InChI=1/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1/f/h40-45H

InChIKey: InChIKey=RCQTVEFBFUNTGM-BINRJBEXDI
SMILES: CC1C(C(=O)OC(C(C(=O)OC(C(C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=C(C(=CC=C4)O)O

Names:
    Bacillibactin
    Corynebactin
    C12219
    N-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]carbamoylmethyl]-2,3-dihydroxy-benzamide
    95536-41-7

Registries:
    PubChem CID 125349
    PubChem ID 14364