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

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid Openeye Name: 2-[4-(1-carboxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid CAS Name: 2-[4-(1-hydroxy-1-oxobutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxobutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid Traditional Name: 2-[4-(1-carboxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]butyric acid Formula: C16H32N4O4 MolecularWeight: 344.44968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32N4O4/c1-3-13(15(21)22)19-9-7-17-5-6-18-8-10-20(12-11-19)14(4-2)16(23)24/h13-14,17-18H,3-12H2,1-2H3,(H,21,22)(H,23,24)