N-[4-[[(2,4-Diamino-6-Pteridinyl)Methyl]Amino]Benzoyl]-L-Aspartic Acid
[CAS# 25312-31-6]

Identification

• Name: N-[4-[[(2,4-Diamino-6-Pteridinyl)Methyl]Amino]Benzoyl]-L-Aspartic Acid
• Synonyms: (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Butanedioic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]Succinic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Butanedioic Acid
• Molecular Formula: C₁₈H₁₈N₈O₅
• Molecular Weight: 426.39
• CAS Registry Number: 25312-31-6
• SMILES: [C@H](NC(=O)C1=CC=C(C=C1)NCC3=NC2=C(N=C(N=C2N)N)N=C3)(CC(O)=O)C(O)=O
• InChI: 1S/C18H18N8O5/c19-14-13-15(26-18(20)25-14)22-7-10(23-13)6-21-9-3-1-8(2-4-9)16(29)24-11(17(30)31)5-12(27)28/h1-4,7,11,21H,5-6H2,(H,24,29)(H,27,28)(H,30,31)(H4,19,20,22,25,26)/t11-/m0/s1
• InChIKey: ODLOSKQDGGOAJH-NSHDSACASA-N

Properties

• Density: 1.636g/cm³ (Cal.)