Pemetrexed

Molecular Formula: C20H21N5O6


InChI: InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1/f/h22-24,26,30H,21H2

InChIKey: InChIKey=WBXPDJSOTKVWSJ-IAATUPDWDH
SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Names:
    HSDB 7316
    LY 231,514
    LY 231514
    L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-
    N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid
    N-[4-[2(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO[2,3-D]PYRIMIDIN-5- YL)ETHYL]BENZOYL
    Pemetrexed
    (2R)-2-[[4-[2-(4-amino-2-oxo-3,5,7-triazabicyclo[4.3.0]nona-3,8,10-trien-9-yl)ethyl]benzoyl]amino]pentanedioic acid
    137281-23-3

Registries:
    PubChem CID 60843
    PubChem ID 197081