europium(3+); methyl (2S)-2-[2-[4,7,10-tris[2-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]propanoate; tris(fluoranyl)methanesulfonate

Systemtic Name: europium(3+); methyl (2S)-2-[2-[4,7,10-tris[2-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]propanoate; tris(fluoranyl)methanesulfonate Openeye Name: europium(3+); methyl (2S)-2-[[2-[4,7,10-tris[2-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoate; trifluoromethanesulfonate CAS Name: europium(3+); (2S)-2-[[1-oxo-2-[4,7,10-tris[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethyl]amino]propanoic acid methyl ester; trifluoromethanesulfonate IUPAC Name: europium(3+); methyl (2S)-2-[[2-[4,7,10-tris[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoate; trifluoromethanesulfonate Traditional Name: europium(3+); (2S)-2-[[2-[4,7,10-tris[2-keto-2-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propionic acid methyl ester; tritriflate Formula: C35H56EuF9N8O21S3 MolecularWeight: 1344.004769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)NC(C)C(=O)OC)CC(=O)NC(C)C(=O)OC)CC(=O)NC(C)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Eu+3]

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)N[C@@H](C)C(=O)OC)CC(=O)N[C@@H](C)C(=O)OC)CC(=O)N[C@@H](C)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Eu+3]

InChI

InChI=1S/C32H56N8O12.3CHF3O3S.Eu/c1-21(29(45)49-5)33-25(41)17-37-9-11-38(18-26(42)34-22(2)30(46)50-6)13-15-40(20-28(44)36-24(4)32(48)52-8)16-14-39(12-10-37)19-27(43)35-23(3)31(47)51-7;3*2-1(3,4)8(5,6)7;/h21-24H,9-20H2,1-8H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44);3*(H,5,6,7);/q;;;;+3/p-3/t21-,22-,23-,24-;;;;/m0..../s1