N-(4-(((2,4-Diamino-7-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Aspartic Acid
[CAS# 82144-21-6]

Identification

• Name: N-(4-(((2,4-Diamino-7-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Aspartic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-7-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Butanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-7-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Butanedioic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-7-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Succinic Acid
• Molecular Formula: C₁₉H₂₀N₈O₅
• Molecular Weight: 440.42
• CAS Registry Number: 82144-21-6
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=NC(=NC(=C1N=C2)N)N)C)C=C3)(C(=O)O)CC(=O)O
• InChI: 1S/C19H20N8O5/c1-27(8-10-7-22-14-15(20)25-19(21)26-16(14)23-10)11-4-2-9(3-5-11)17(30)24-12(18(31)32)6-13(28)29/h2-5,7,12H,6,8H2,1H3,(H,24,30)(H,28,29)(H,31,32)(H4,20,21,23,25,26)/t12-/m0/s1
• InChIKey: BLZFTEZQXFGKKA-LBPRGKRZSA-N

Properties

• Density: 1.577g/cm³ (Cal.)