(2S)-2-[[4-[(2-Methyl-4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 112887-79-3]

Identification

• Name: (2S)-2-[[4-[(2-Methyl-4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[(2-Methyl-4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Keto-2-Methyl-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(2-Methyl-4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₂H₂₂N₄O₆
• Molecular Weight: 438.44
• CAS Registry Number: 112887-79-3
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2=CC1=C(NC(=NC1=O)C)C=C2)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C22H22N4O6/c1-12-24-17-7-2-13(10-16(17)21(30)25-12)11-23-15-5-3-14(4-6-15)20(29)26-18(22(31)32)8-9-19(27)28/h2-7,10,18,23H,8-9,11H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)/t18-/m0/s1
• InChIKey: XNMGBFXZWCNZAA-SFHVURJKSA-N

Properties

• Density: 1.449g/cm³ (Cal.)