gallium N-[3-[5,8-bis[3-[ethanoyl(oxidanidyl)amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidanidyl-ethanamide

Systemtic Name: gallium N-[3-[5,8-bis[3-[ethanoyl(oxidanidyl)amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidanidyl-ethanamide Openeye Name: gallium N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-acetamide CAS Name: gallium N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide IUPAC Name: gallium N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide Traditional Name: gallium N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaketo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-acetamide Formula: C27H42GaN9O12 MolecularWeight: 754.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])[O-].[Ga+3]

Isomeric SMILES

CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])[O-].[Ga+3]

InChI

InChI=1S/C27H42N9O12.Ga/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3