2-{[10,17-Dioxo-21-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6-dioxa-9,16-diazahenicos-1-yl]oxy}-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoic acid
[CAS# 207971-23-1]

Identification

• Name: 2-{[10,17-Dioxo-21-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6-dioxa-9,16-diazahenicos-1-yl]oxy}-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoic acid
• Synonyms: 2-[2-[2-[2-[6-(Biotinylaminohexanoyl]aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid
• Molecular Formula: C₃₁H₄₃F₃N₆O₈S
• Molecular Weight: 716.77
• CAS Registry Number: 207971-23-1
• SMILES: c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)O
• InChI: 1S/C31H43F3N6O8S/c32-31(33,34)30(39-40-30)20-9-10-21(28(43)44)23(18-20)48-17-16-47-15-14-46-13-12-36-26(42)7-2-1-5-11-35-25(41)8-4-3-6-24-27-22(19-49-24)37-29(45)38-27/h9-10,18,22,24,27H,1-8,11-17,19H2,(H,35,41)(H,36,42)(H,43,44)(H2,37,38,45)
• InChIKey: NQAZCDBRNFZKCC-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Refractive index: 1.621 (Cal.)