N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Valine
[CAS# 197245-17-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Valine derivatives
• Name: N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Valine
• Synonyms: (2S)-2-{[(1,1-dioxobenzo[d]thiol-2-yl)methoxy]carbonylamino}-3-methylbutanoic cid; Bsmoc-Val-OH; N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-valine
• Molecular Formula: C₁₅H₁₇NO₆S
• Molecular Weight: 339.36
• CAS Registry Number: 197245-17-3
• SMILES: CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O
• InChI: 1S/C15H17NO6S/c1-9(2)13(14(17)18)16-15(19)22-8-11-7-10-5-3-4-6-12(10)23(11,20)21/h3-7,9,13H,8H2,1-2H3,(H,16,19)(H,17,18)/t13-/m0/s1
• InChIKey: MNIQMWXZEBFKHP-ZDUSSCGKSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 153-156°C (Expl.)
• Boiling point: 602.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 318.4±31.5°C (Cal.)
• Refractive index: 1.586 (Cal.)