(2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoic Acid; 1,3,7-Trimethylpurine-2,6-Dione
[CAS# 60364-24-1]

Identification

• Name: (2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoic Acid; 1,3,7-Trimethylpurine-2,6-Dione
• Molecular Formula: C₂₁H₂₄N₆O₅
• Molecular Weight: 440.45
• CAS Registry Number: 60364-24-1
• SMILES: CN2c1ncn(C)c1C(=O)N(C)C2=O.OC(=O)[C@@H](NC(C)=O)Cc2cnc1ccccc12
• InChI: 1S/C13H14N2O3.C8H10N4O2/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);4H,1-3H3/t12-;/m0./s1
• InChIKey: HTWRTVLBVOTBKA-YDALLXLXSA-N

Properties

• Boiling point: 822.9°C at 760 mmHg (Cal.)
• Flash point: 451.5°C (Cal.)