N2-(ADP-D-ribosyl)-L-arginine

Molecular Formula: C₂₁H₃₅N₉O₁₅P₂

InChI: InChI=1/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/f/h29,35,37,39H,23-24H2/b25-21+

InChIKey: InChIKey=IWVSYNGKNZFSSA-GZJBEHEHDS
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)NC(=NCCCC(C(=O)O)N)N)O)O)O)O

Names:
    CPD-557
    N2-(ADP-D-ribosyl)-L-arginine
    2-amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]amino]methylidene]amino]pentanoic acid

Registries:
    PubChem CID 493
    PubChem ID 2443