2-[[4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-2-Fluoro-5-Hydroxy-5-Oxopentanoyl]Amino]Pentanedioic Acid
[CAS# 124716-15-0]

Identification

• Name: 2-[[4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-2-Fluoro-5-Hydroxy-5-Oxopentanoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-2-Fluoro-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; 2-[[4-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-2-Fluoro-5-Hydroxy-1,5-Dioxopentyl]Amino]Pentanedioic Acid; 2-[[4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-2-Fluoro-5-Hydroxy-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₂₈FN₉O₈
• Molecular Weight: 601.55
• CAS Registry Number: 124716-15-0
• SMILES: C2=NC1=NC(=NC(=C1N=C2CN(C3=CC=C(C(=O)NC(CC(F)C(=O)NC(C(=O)O)CCC(=O)O)C(=O)O)C=C3)C)N)N
• InChI: 1S/C25H28FN9O8/c1-35(10-12-9-29-20-18(30-12)19(27)33-25(28)34-20)13-4-2-11(3-5-13)21(38)32-16(24(42)43)8-14(26)22(39)31-15(23(40)41)6-7-17(36)37/h2-5,9,14-16H,6-8,10H2,1H3,(H,31,39)(H,32,38)(H,36,37)(H,40,41)(H,42,43)(H4,27,28,29,33,34)
• InChIKey: IOSNMHVIOAOZTL-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)