2-Amino-3-((N-2,4,6-Trimethylbenzenesulfonyl)Indole)Propionic Acid
[CAS# 92916-45-5]

Identification

• Name: 2-Amino-3-((N-2,4,6-Trimethylbenzenesulfonyl)Indole)Propionic Acid
• Synonyms: (2S)-2-Amino-3-[1-(2,4,6-Trimethylphenyl)Sulfonyl-3-Indolyl]Propanoic Acid; (2S)-2-Amino-3-[1-(2,4,6-Trimethylphenyl)Sulfonylindol-3-Yl]Propionic Acid; 2-Amino-3-((N-2,4,6-Trimethylbenzenesulfonyl)Indole)Propionic Acid
• Molecular Formula: C₂₀H₂₂N₂O₄S
• Molecular Weight: 386.46
• CAS Registry Number: 92916-45-5
• SMILES: [C@@H](CC1=C[N](C2=CC=CC=C12)[S](=O)(=O)C3=C(C=C(C=C3C)C)C)(N)C(O)=O
• InChI: 1S/C20H22N2O4S/c1-12-8-13(2)19(14(3)9-12)27(25,26)22-11-15(10-17(21)20(23)24)16-6-4-5-7-18(16)22/h4-9,11,17H,10,21H2,1-3H3,(H,23,24)/t17-/m0/s1
• InChIKey: MWHQGVQXBUBVGZ-KRWDZBQOSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 619.052°C at 760 mmHg (Cal.)
• Flash point: 328.191°C (Cal.)