N-[4-[[(2,4-Diaminopteridin-7-Yl)Methyl]Methylamino]Benzoyl]-L-Glutamic Acid
[CAS# 52980-66-2]

Identification

• Name: N-[4-[[(2,4-Diaminopteridin-7-Yl)Methyl]Methylamino]Benzoyl]-L-Glutamic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-7-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-7-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-7-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₂N₈O₅
• Molecular Weight: 454.44
• CAS Registry Number: 52980-66-2
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=NC(=NC(=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1
• InChIKey: UUVPYTIBUIBXTJ-ZDUSSCGKSA-N

Properties

• Density: 1.537g/cm³ (Cal.)