N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Tryptophan
[CAS# 197245-27-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tryptophan derivatives
• Name: N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Tryptophan
• Synonyms: (2S)-2-{[(1,1-dioxobenzo[d]thiol-2-yl)methoxy]carbonylamino}-3-indol-3-ylpropanoic acid; Bsmoc-Trp-OH; N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-tryptophan
• Molecular Formula: C₂₁H₁₈N₂O₆S
• Molecular Weight: 426.44
• CAS Registry Number: 197245-27-5
• SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O
• InChI: 1S/C21H18N2O6S/c24-20(25)18(10-14-11-22-17-7-3-2-6-16(14)17)23-21(26)29-12-15-9-13-5-1-4-8-19(13)30(15,27)28/h1-9,11,18,22H,10,12H2,(H,23,26)(H,24,25)/t18-/m0/s1
• InChIKey: UILOLDADSJLWEJ-SFHVURJKSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 80-106°C (Expl.)
• Boiling point: 768.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 418.7±32.9°C (Cal.)
• Refractive index: 1.694 (Cal.)

Safety Data

• Safety Code: S22;S24/25