2-[(4-{[(2-Ammonio-5-carbonoimidoyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioate
[CAS# 2311-81-1]

Identification

• Name: 2-[(4-{[(2-Ammonio-5-carbonoimidoyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioate
• Molecular Formula: C₂₀H₂₃N₈O₆
• Molecular Weight: 471.45
• CAS Registry Number: 2311-81-1
• SMILES: c1cc(ccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])NCC2CNc3c(c(nc(=[NH2+])[nH]3)O)N2C=N
• InChI: 1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-1
• InChIKey: YCWUVLPMLLBDCU-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)