(2S)-2-[[4-[(2,7-Dimethyl-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]-2-Fluorobenzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
[CAS# 172521-94-7]

Identification

• Name: (2S)-2-[[4-[(2,7-Dimethyl-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]-2-Fluorobenzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid
• Synonyms: (2S)-2-[[4-[(2,7-Dimethyl-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynyl-Amino]-2-Fluoro-Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid; (2S)-2-[[[4-[(2,7-Dimethyl-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]-2-Fluorophenyl]-Oxomethyl]Amino]-4-(2H-Tetrazol-5-Yl)Butanoic Acid; (2S)-2-[[2-Fluoro-4-[(4-Keto-2,7-Dimethyl-1H-Quinazolin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]-4-(2H-Tetrazol-5-Yl)Butyric Acid
• Molecular Formula: C₂₆H₂₅FN₈O₄
• Molecular Weight: 532.53
• CAS Registry Number: 172521-94-7
• SMILES: [C@H](NC(=O)C3=C(F)C=C(N(CC2=CC1=C(NC(=NC1=O)C)C=C2C)CC#C)C=C3)(CCC4=N[NH]N=N4)C(O)=O
• InChI: 1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
• InChIKey: IEJSCSAMMLUINT-NRFANRHFSA-N