2-[4,10-bis(carboxymethyl)-7-[1-[[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxidanylidene-3-[[3-oxidanylidene-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid; yttrium

Systemtic Name: 2-[4,10-bis(carboxymethyl)-7-[1-[[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxidanylidene-3-[[3-oxidanylidene-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid; yttrium Openeye Name: 2-[4,10-bis(carboxymethyl)-7-[1-[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]-1-quinolyl]propylcarbamoyl]propylamino]-2-oxo-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium CAS Name: 2-[4,10-bis(carboxymethyl)-7-[1-[[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[oxo-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]amino]methyl]-1-quinolinyl]propylamino]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium IUPAC Name: 2-[4,10-bis(carboxymethyl)-7-[1-[[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium Traditional Name: 2-[4,10-bis(carboxymethyl)-7-[1-[1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-keto-3-[[3-keto-2-(mesitylsulfonylamino)butyl]carbamoyl]-1-quinolyl]propylcarbamoyl]propylamino]-2-keto-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium Formula: C50H70N12O13SY MolecularWeight: 1168.13425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)NCC(C(=O)C)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)NC(C=O)N5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O.[Y]

Isomeric SMILES

CCC(C(=O)NCCCN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)NCC(C(=O)C)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)NC(C=O)N5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O.[Y]

InChI

InChI=1S/C50H70N12O13S.Y/c1-6-39(56-42(31-63)61-20-18-59(29-44(67)68)16-14-58(28-43(65)66)15-17-60(19-21-61)30-45(69)70)49(73)51-10-7-13-62-27-38(46(71)37-9-8-36(24-41(37)62)25-55-50-52-11-12-53-50)48(72)54-26-40(35(5)64)57-76(74,75)47-33(3)22-32(2)23-34(47)4;/h8-9,11-12,22-24,27,31,39-40,42,56-57H,6-7,10,13-21,25-26,28-30H2,1-5H3,(H,51,73)(H,54,72)(H,65,66)(H,67,68)(H,69,70)(H2,52,53,55);