(2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Propyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 122594-35-8]

Identification

• Name: (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Propyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[2-(2,4-Diamino-6-Pteridinyl)Propyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Propyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Propyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₃N₇O₅
• Molecular Weight: 453.46
• CAS Registry Number: 122594-35-8
• SMILES: [C@@H](NC(=O)C3=CC=C(CC(C2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10?,13-/m0/s1
• InChIKey: SEJWECNFKLVVFC-HQVZTVAUSA-N

Properties

• Density: 1.473g/cm³ (Cal.)