10-(3-azanyl-2-oxidanyl-propyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid

Systemtic Name: 10-(3-azanyl-2-oxidanyl-propyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: 10-(3-amino-2-hydroxy-propyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: 10-(3-amino-2-hydroxypropyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: 10-(3-amino-2-hydroxypropyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: 10-(3-amino-2-hydroxy-propyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C15H29N5O7 MolecularWeight: 391.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCN1C(=O)O)CC(CN)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CCN(CCN(CCN1C(=O)O)CC(CN)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H29N5O7/c1-11-9-19(14(24)25)6-5-18(13(22)23)4-2-17(10-12(21)8-16)3-7-20(11)15(26)27/h11-12,21H,2-10,16H2,1H3,(H,22,23)(H,24,25)(H,26,27)