N-(N-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Amino)Benzoyl)Glycyl)-L-Glutamic Acid
[CAS# 65118-36-7]

Identification

• Name: N-(N-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Amino)Benzoyl)Glycyl)-L-Glutamic Acid
• Synonyms: (2S)-2-[[2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]Pentanedioic Acid; (2S)-2-[[2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]Acetyl]Amino]Glutaric Acid; (2S)-2-[2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Ethanoylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₃N₉O₆
• Molecular Weight: 497.47
• CAS Registry Number: 65118-36-7
• SMILES: [C@@H](NC(=O)CNC(=O)C3=CC=C(NCC2=NC1=C(N=C(N=C1N=C2)N)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C21H23N9O6/c22-17-16-18(30-21(23)29-17)25-8-12(27-16)7-24-11-3-1-10(2-4-11)19(34)26-9-14(31)28-13(20(35)36)5-6-15(32)33/h1-4,8,13,24H,5-7,9H2,(H,26,34)(H,28,31)(H,32,33)(H,35,36)(H4,22,23,25,29,30)/t13-/m0/s1
• InChIKey: HCNFBAQHFZWSOA-ZDUSSCGKSA-N