2-[4,7-bis(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7-triazonan-1-yl]propanoic acid

Systemtic Name: 2-[4,7-bis(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7-triazonan-1-yl]propanoic acid Openeye Name: 2-[4,7-bis(2-hydroxy-1-methyl-2-oxo-ethyl)-1,4,7-triazonan-1-yl]propanoic acid CAS Name: 2-[4,7-bis(1-hydroxy-1-oxopropan-2-yl)-1,4,7-triazonan-1-yl]propanoic acid IUPAC Name: 2-[4,7-bis(1-hydroxy-1-oxopropan-2-yl)-1,4,7-triazonan-1-yl]propanoic acid Traditional Name: 2-[4,7-bis(2-hydroxy-2-keto-1-methyl-ethyl)-1,4,7-triazonan-1-yl]propionic acid Formula: C15H27N3O6 MolecularWeight: 345.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CCN(CC1)C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCN(CCN(CC1)C(C)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C15H27N3O6/c1-10(13(19)20)16-4-6-17(11(2)14(21)22)8-9-18(7-5-16)12(3)15(23)24/h10-12H,4-9H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)