N-[3,5-Dichloro-4-[[(2,4-diamino-1,5,6,7-tetrahydro-6-pteridinyl)methyl]methylamino]benzoyl]-L-Glutamic acid
[CAS# 17700-70-8]

Identification

• Name: N-[3,5-Dichloro-4-[[(2,4-diamino-1,5,6,7-tetrahydro-6-pteridinyl)methyl]methylamino]benzoyl]-L-Glutamic acid
• Synonyms: (2S)-2-[[3,5-Dichloro-4-[(2,4-Diamino-5,6,7,8-Tetrahydropteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[3,5-Dichloro-4-[(2,4-Diamino-5,6,7,8-Tetrahydropteridin-6-Yl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[3,5-Dichloro-4-[(2,4-Diamino-5,6,7,8-Tetrahydropteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₄Cl₂N₈O₅
• Molecular Weight: 527.37
• CAS Registry Number: 17700-70-8
• SMILES: [C@@H](NC(=O)C3=CC(=C(N(CC2NC1=C(N=C(N=C1NC2)N)N)C)C(=C3)Cl)Cl)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H24Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-5,9,12,26H,2-3,6-7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H5,23,24,25,28,29)/t9?,12-/m0/s1
• InChIKey: XWEXDVHAJDWLCH-ACGXKRRESA-N

Properties

• Density: 1.539g/cm³ (Cal.)