(2S)-4-carbamoyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]butanoic acid

Molecular Formula: C₂₀H₂₃N₉O₄

InChI: InChI=1/C20H23N9O4/c1-29(9-11-8-24-17-15(25-11)16(22)27-20(23)28-17)12-4-2-10(3-5-12)18(31)26-13(19(32)33)6-7-14(21)30/h2-5,8,13H,6-7,9H2,1H3,(H2,21,30)(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t13-/m0/s1/f/h26,32H,21-23H2

InChIKey: InChIKey=YFSVPBJUHQLTIQ-NERCRKRXDN
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)N)C(=O)O

Names:
(2S)-4-carbamoyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]butanoic acid

Registries:
PubChem CID 99668
PubChem ID 10230742