N(10)-(Cyanomethyl)-5,8-Dideazafolic Acid
[CAS# 80015-09-4]

Identification

• Name: N(10)-(Cyanomethyl)-5,8-Dideazafolic Acid
• Synonyms: (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-(Cyanomethyl)Amino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Quinazolin-6-Yl)Methyl-(Cyanomethyl)Amino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-(Cyanomethyl)Amino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₃H₂₂N₆O₆
• Molecular Weight: 478.46
• CAS Registry Number: 80015-09-4
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)N(CC#N)CC3=CC2=C(NC(=NC2=O)N)C=C3)=O)CCC(=O)O
• InChI: 1S/C23H22N6O6/c24-9-10-29(12-13-1-6-17-16(11-13)21(33)28-23(25)27-17)15-4-2-14(3-5-15)20(32)26-18(22(34)35)7-8-19(30)31/h1-6,11,18H,7-8,10,12H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1
• InChIKey: DYXZEOJTRVEJOX-SFHVURJKSA-N