(6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-(quinoxalin-2-ylcarbonylamino)ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate; nickel(2+)

Systemtic Name: (6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-(quinoxalin-2-ylcarbonylamino)ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate; nickel(2+) Openeye Name: nickelous (6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-(quinoxaline-2-carbonylamino)ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate CAS Name: (6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-[[oxo(2-quinoxalinyl)methyl]amino]ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate; nickel(2+) IUPAC Name: (6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-(quinoxaline-2-carbonylamino)ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate; nickel(2+) Traditional Name: nickelous (6S,13R)-3,3,6,10,10,13-hexamethyl-6,13-bis[2-(quinoxaline-2-carbonylamino)ethoxy]-1,4,8,11-tetrazacyclotetradeca-4,11-diene-5,12-diolate Formula: C38H48N10NiO6 MolecularWeight: 799.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCC(C(=NC(CNCC(C(=N1)[O-])(C)OCCNC(=O)C2=NC3=CC=CC=C3N=C2)(C)C)[O-])(C)OCCNC(=O)C4=NC5=CC=CC=C5N=C4)C.[Ni+2]

Isomeric SMILES

C[C@]1(CNCC(N=C([C@@](CNCC(N=C1[O-])(C)C)(C)OCCNC(=O)C2=NC3=CC=CC=C3N=C2)[O-])(C)C)OCCNC(=O)C4=NC5=CC=CC=C5N=C4.[Ni+2]

InChI

InChI=1S/C38H50N10O6.Ni/c1-35(2)21-39-23-38(6,54-18-16-42-32(50)30-20-44-26-12-8-10-14-28(26)46-30)34(52)48-36(3,4)22-40-24-37(5,33(51)47-35)53-17-15-41-31(49)29-19-43-25-11-7-9-13-27(25)45-29;/h7-14,19-20,39-40H,15-18,21-24H2,1-6H3,(H,41,49)(H,42,50)(H,47,51)(H,48,52);/q;+2/p-2/t37-,38+;