2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Openeye Name: 2-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid CAS Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Traditional Name: 2-[4-(2-hydroxy-2-keto-1-methyl-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid Formula: C14H28N4O4 MolecularWeight: 316.39652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCNCCNCCN(CC1)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCNCCNCCN(CC1)C(C)C(=O)O

InChI

InChI=1S/C14H28N4O4/c1-11(13(19)20)17-7-5-15-3-4-16-6-8-18(10-9-17)12(2)14(21)22/h11-12,15-16H,3-10H2,1-2H3,(H,19,20)(H,21,22)