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| IUPAC Name: | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid |
| Description: | Fmoc-L-Lys-mono-amide-DOTA-tris(t-Bu ester), is a bifunctional chelator. |
| Molecular Weight: | 923.15 + (145.97) |
| Molecular Formula: | C49H74N6O11·HPF6 |
| Canonical SMILES: | CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCCCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChI: | InChI=1S/C49H74N6O11/c1-47(2,3)64-42(57)31-53-24-22-52(23-25-54(32-43(58)65-48(4,5)6)27-29-55(28-26-53)33-44(59)66-49(7,8)9)30-41(56)50-21-15-14-20-40(45(60)61)51-46(62)63-34-39-37-18-12-10-16-35(37)36-17-11-13-19-38(36)39/h10-13,16-19,39-40H,14-15,20-34H2,1-9H3,(H,50,56)(H,51,62)(H,60,61)/t40-/m0/s1 |
| InChI Key: | ILBBUDAYWABEFI-FAIXQHPJSA-N |
| Melting Point: | >123°C (subl.) |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Off-White Solid |
| Storage: | -20°C, Inert atmosphere |
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