(2S)-2-[[4-[[(2-Amino-4-Oxo-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 130327-67-2]

Identification

• Name: (2S)-2-[[4-[[(2-Amino-4-Oxo-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Amino]Methyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[[(2-Amino-4-Keto-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Amino]Methyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Amino]Methyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₀N₆O₆
• Molecular Weight: 440.41
• CAS Registry Number: 130327-67-2
• SMILES: [C@@H](NC(=O)C3=CC=C(CNC2=CN=C1NC(=NC(=O)C1=C2)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1
• InChIKey: AYDSBKMPDDZABS-AWEZNQCLSA-N

Properties

• Density: 1.615g/cm³ (Cal.)