3,6,9-tris[3-[hydroxymethyl(oxidanyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: 3,6,9-tris[3-[hydroxymethyl(oxidanyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 3,6,9-tris[3-[hydroxy(methylol)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C24H45N9O12 MolecularWeight: 651.6672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCN(CO)O)CCCN(CO)O)CCCN(CO)O

Isomeric SMILES

C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCN(CO)O)CCCN(CO)O)CCCN(CO)O

InChI

InChI=1S/C24H45N9O12/c34-13-31(43)7-1-4-16-22(40)27-11-20(38)25-10-19(37)26-12-21(39)28-17(5-2-8-32(44)14-35)23(41)30-18(24(42)29-16)6-3-9-33(45)15-36/h16-18,34-36,43-45H,1-15H2,(H,25,38)(H,26,37)(H,27,40)(H,28,39)(H,29,42)(H,30,41)