(2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
[CAS# 127134-21-8]

Identification

• Name: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
• Synonyms: (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butyric Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]-4-(2H-1,2,3,4-Tetrazol-5-Yl)Butanoic Acid
• Molecular Formula: C₁₉H₂₀N₁₂O₃
• Molecular Weight: 464.45
• CAS Registry Number: 127134-21-8
• SMILES: [C@H](NC(=O)C3=CC=C(NCC2=NC1=C(N=C(N=C1N=C2)N)N)C=C3)(CCC4=N[NH]N=N4)C(=O)O
• InChI: 1S/C19H20N12O3/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(32)25-12(18(33)34)5-6-13-28-30-31-29-13/h1-4,8,12,22H,5-7H2,(H,25,32)(H,33,34)(H,28,29,30,31)(H4,20,21,23,26,27)/t12-/m0/s1
• InChIKey: IMRSBQGLWIOFSP-LBPRGKRZSA-N

Properties

• Density: 1.631g/cm³ (Cal.)