3-[4,8,11-tris(3-oxidanidyl-3-oxidanylidene-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate

Systemtic Name: 3-[4,8,11-tris(3-oxidanidyl-3-oxidanylidene-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate Openeye Name: 3-[4,8,11-tris(3-oxido-3-oxo-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate CAS Name: 3-[4,8,11-tris(3-oxido-3-oxopropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate IUPAC Name: 3-[4,8,11-tris(3-oxido-3-oxopropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate Traditional Name: 3-[4,8,11-tris(3-keto-3-oxido-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propionate Formula: C22H36N4O8-4 MolecularWeight: 484.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C22H40N4O8/c27-19(28)3-11-23-7-1-8-24(12-4-20(29)30)16-18-26(14-6-22(33)34)10-2-9-25(17-15-23)13-5-21(31)32/h1-18H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/p-4