2-[[3-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid

Molecular Formula: C20H21ClN8O5


InChI: InChI=1/C20H21ClN8O5/c1-29(8-10-7-24-17-15(25-10)16(22)27-20(23)28-17)13-4-2-9(6-11(13)21)18(32)26-12(19(33)34)3-5-14(30)31/h2,4,6-7,12H,3,5,8H2,1H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)/f/h26,30,33H,22-23H2

InChIKey: InChIKey=IYLMHKCROXNDKO-AVGMVYDOCY
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Names:
    2-[[3-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid

Registries:
    PubChem CID 97703
    PubChem ID 10229143