(2S)-2-[[4-[(4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 106585-70-0]

Identification

• Name: (2S)-2-[[4-[(4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[Oxo-[4-[(4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Phenyl]Methyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Keto-1H-Quinazolin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(4-Oxo-1H-Quinazolin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₀N₄O₆
• Molecular Weight: 424.41
• CAS Registry Number: 106585-70-0
• SMILES: [C@H](NC(=O)C3=CC=C(NCC2=CC1=C(NC=NC1=O)C=C2)C=C3)(CCC(O)=O)C(O)=O
• InChI: 1S/C21H20N4O6/c26-18(27)8-7-17(21(30)31)25-19(28)13-2-4-14(5-3-13)22-10-12-1-6-16-15(9-12)20(29)24-11-23-16/h1-6,9,11,17,22H,7-8,10H2,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)/t17-/m0/s1
• InChIKey: CSROEJXVRAZBAD-KRWDZBQOSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 822.2°C at 760 mmHg (Cal.)
• Flash point: 451.1°C (Cal.)