(2S)-2-[[4-[[4-Oxo-2-(Trifluoromethyl)-1H-Quinazolin-6-Yl]Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 112887-78-2]

Identification

• Name: (2S)-2-[[4-[[4-Oxo-2-(Trifluoromethyl)-1H-Quinazolin-6-Yl]Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[[4-Oxo-2-(Trifluoromethyl)-1H-Quinazolin-6-Yl]Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[Oxo-[4-[[4-Oxo-2-(Trifluoromethyl)-1H-Quinazolin-6-Yl]Methyl-Prop-2-Ynylamino]Phenyl]Methyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[[4-Keto-2-(Trifluoromethyl)-1H-Quinazolin-6-Yl]Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₂₁F₃N₄O₆
• Molecular Weight: 530.46
• CAS Registry Number: 112887-78-2
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=CC1=C(NC(=NC1=O)C(F)(F)F)C=C2)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C25H21F3N4O6/c1-2-11-32(13-14-3-8-18-17(12-14)22(36)31-24(30-18)25(26,27)28)16-6-4-15(5-7-16)21(35)29-19(23(37)38)9-10-20(33)34/h1,3-8,12,19H,9-11,13H2,(H,29,35)(H,33,34)(H,37,38)(H,30,31,36)/t19-/m0/s1
• InChIKey: JAIAMKVLKOZGKS-IBGZPJMESA-N