N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinylidene)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamic acid
[CAS# 88912-57-6]

Identification

• Name: N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinylidene)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamic acid
• Synonyms: L-Glutamic acid, N-(4-(3-(2-amino-1,5-dihydro-4-oxo-6(4H)-pteridinylidene)-2,3-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)benzoyl)-; Pyrrofolic acid
• Molecular Formula: C₂₃H₂₁N₇O₇
• Molecular Weight: 507.46
• CAS Registry Number: 88912-57-6
• SMILES: O=C(O)[C@@H](NC(=O)c1ccc(cc1)N4\C=C(/C(=C3/C=N\C=2N/C(=N\C(=O)C=2N3)N)C4=O)C)CCC(=O)O
• InChI: 1S/C23H21N7O7/c1-10-9-30(21(35)16(10)14-8-25-18-17(26-14)20(34)29-23(24)28-18)12-4-2-11(3-5-12)19(33)27-13(22(36)37)6-7-15(31)32/h2-5,8-9,13,26H,6-7H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H3,24,28,29,34)/b16-14+/t13-/m0/s1
• InChIKey: BSSSHMYZINARDJ-YZGLPLCXSA-N

Properties

• Density: 1.695g/cm³ (Cal.)