Prestwick0_001113

Molecular Formula: C₂₅H₄₃N₁₃O₁₀

InChI: InChI=1/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/f/h30-36,38H,28-29H2

InChIKey: InChIKey=GXFAIFRPOKBQRV-JFRFTMJBCO
SMILES: C1C(NC(=NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N

Names:
    Prestwick0_001113
    3,6-diamino-N-[3-(2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide

Registries:
    PubChem CID 14973
    PubChem ID 11467141