aminopterin

Molecular Formula: C₁₉H₂₀N₈O₅

InChI: InChI=1/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1/f/h25,28,31H,20-21H2

InChIKey: InChIKey=TVZGACDUOSZQKY-XBGCRKGSDS
SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

CAS number 54-62-6

Names:
    aminopterin
    N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid
    (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
    4-aminofolic acid
    4-aminopteroylglutamic acid
    4-amino-PGA

Registries:
    PubChem CID 169371
    Beilstein =69045
    CAS 54-62-6 (from NIST)
    ChEBI 22526
    PubChem ID 10256999