3-oxidanyl-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid

Systemtic Name: 3-oxidanyl-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Openeye Name: 3-hydroxy-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid CAS Name: 3-hydroxy-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid IUPAC Name: 3-hydroxy-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Traditional Name: 3-hydroxy-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid Formula: C17H30N4O9 MolecularWeight: 434.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(=O)O)CC(=O)O

InChI

InChI=1S/C17H30N4O9/c22-12-13(17(29)30)21-7-5-19(10-15(25)26)3-1-18(9-14(23)24)2-4-20(6-8-21)11-16(27)28/h13,22H,1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)