(2S)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6- Yl]Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 68538-85-2]

Identification

• Name: (2S)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6- Yl]Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[[(6S)-2-Amino-5-Formyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Keto-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[[(6S)-2-Amino-5-Methanoyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₃N₇O₇
• Molecular Weight: 473.44
• CAS Registry Number: 68538-85-2
• SMILES: [C@H]1(N(C2=C(NC1)NC(=NC2=O)N)C=O)CNC3=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C3
• InChI: 1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
• InChIKey: VVIAGPKUTFNRDU-STQMWFEESA-N

Properties

• Density: 1.687g/cm³ (Cal.)