2-Desamino-2,3-Dimethyl-N(10)-Propargyl-5,8-Dideazafolic Acid
[CAS# 119820-56-3]

Identification

• Name: 2-Desamino-2,3-Dimethyl-N(10)-Propargyl-5,8-Dideazafolic Acid
• Synonyms: (2S)-2-[[4-[(2,3-Dimethyl-4-Oxo-Quinazolin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,3-Dimethyl-4-Oxo-6-Quinazolinyl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Keto-2,3-Dimethyl-Quinazolin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₆H₂₆N₄O₆
• Molecular Weight: 490.51
• CAS Registry Number: 119820-56-3
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=CC1=C(N=C(N(C1=O)C)C)C=C2)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C26H26N4O6/c1-4-13-30(15-17-5-10-21-20(14-17)25(34)29(3)16(2)27-21)19-8-6-18(7-9-19)24(33)28-22(26(35)36)11-12-23(31)32/h1,5-10,14,22H,11-13,15H2,2-3H3,(H,28,33)(H,31,32)(H,35,36)/t22-/m0/s1
• InChIKey: ZZLZQCHJVCQSAK-QFIPXVFZSA-N