2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-5-[(2-Methylpropan-2-Yl)Oxy]-5-Oxopentanoic Acid
[CAS# 79640-76-9]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-5-[(2-Methylpropan-2-Yl)Oxy]-5-Oxopentanoic Acid
• Synonyms: 5-Tert-Butoxy-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Oxo-Pentanoic Acid; 5-Tert-Butoxy-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxopentanoic Acid; 5-Tert-Butoxy-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₄H₃₀N₈O₅
• Molecular Weight: 510.55
• CAS Registry Number: 79640-76-9
• SMILES: C1=C(C(=O)NC(CCC(OC(C)(C)C)=O)C(O)=O)C=CC(=C1)N(CC2=NC3=C(N=C2)N=C(N=C3N)N)C
• InChI: 1S/C24H30N8O5/c1-24(2,3)37-17(33)10-9-16(22(35)36)29-21(34)13-5-7-15(8-6-13)32(4)12-14-11-27-20-18(28-14)19(25)30-23(26)31-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,29,34)(H,35,36)(H4,25,26,27,30,31)
• InChIKey: AHTGHRYUTABCAE-UHFFFAOYSA-N

Properties

• Density: 1.378g/cm³ (Cal.)