5-azanyl-2-[2-oxidanylidene-2-[[2-oxidanyl-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]ethoxy]benzoic acid

Systemtic Name: 5-azanyl-2-[2-oxidanylidene-2-[[2-oxidanyl-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]ethoxy]benzoic acid Openeye Name: 5-amino-2-[2-[[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]-2-oxo-ethoxy]benzoic acid CAS Name: 5-amino-2-[2-[[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]-2-oxoethoxy]benzoic acid IUPAC Name: 5-amino-2-[2-[[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]-2-oxoethoxy]benzoic acid Traditional Name: 5-amino-2-[2-[[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]amino]-2-keto-ethoxy]benzoic acid Formula: C26H40N6O11 MolecularWeight: 612.6294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(CNC(=O)COC2=C(C=C(C=C2)N)C(=O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(CNC(=O)COC2=C(C=C(C=C2)N)C(=O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C26H40N6O11/c27-18-1-2-21(20(11-18)26(41)42)43-17-22(34)28-12-19(33)13-29-3-5-30(14-23(35)36)7-9-32(16-25(39)40)10-8-31(6-4-29)15-24(37)38/h1-2,11,19,33H,3-10,12-17,27H2,(H,28,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)