(2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
[CAS# 127105-48-0]

Identification

• Name: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid; (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butyric Acid
• Molecular Formula: C₂₀H₂₂N₁₂O₃
• Molecular Weight: 478.47
• CAS Registry Number: 127105-48-0
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC4=N[NH]N=N4
• InChI: 1S/C20H22N12O3/c1-32(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(33)25-13(19(34)35)6-7-14-28-30-31-29-14/h2-5,8,13H,6-7,9H2,1H3,(H,25,33)(H,34,35)(H,28,29,30,31)(H4,21,22,23,26,27)/t13-/m0/s1
• InChIKey: WYMVDZHYPSUZLC-ZDUSSCGKSA-N

Properties

• Density: 1.578g/cm³ (Cal.)