11-(3-azanyl-2-oxidanyl-propyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid

Systemtic Name: 11-(3-azanyl-2-oxidanyl-propyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid Openeye Name: 11-(3-amino-2-hydroxy-propyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid CAS Name: 11-(3-amino-2-hydroxypropyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid IUPAC Name: 11-(3-amino-2-hydroxypropyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid Traditional Name: 11-(3-amino-2-hydroxy-propyl)-1,4,7,10-tetrazacyclododecane-2,5-dicarboxylic acid Formula: C13H27N5O5 MolecularWeight: 333.38398

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CNC(CNC(CN1)C(=O)O)C(=O)O)CC(CN)O

Isomeric SMILES

C1CNC(CNC(CNC(CN1)C(=O)O)C(=O)O)CC(CN)O

InChI

InChI=1S/C13H27N5O5/c14-4-9(19)3-8-5-17-11(13(22)23)7-18-10(12(20)21)6-15-1-2-16-8/h8-11,15-19H,1-7,14H2,(H,20,21)(H,22,23)