2-[2-[6-azanyl-2-[(3-oxidanyl-1-oxidanylidene-butan-2-yl)amino]azanidyl-hexanoyl]azanidylethanoylazanidyl]-3-oxidanylidene-propane-1-thiolate; oxidanylidenetechnetium(4+)

Systemtic Name: 2-[2-[6-azanyl-2-[(3-oxidanyl-1-oxidanylidene-butan-2-yl)amino]azanidyl-hexanoyl]azanidylethanoylazanidyl]-3-oxidanylidene-propane-1-thiolate; oxidanylidenetechnetium(4+) Openeye Name: 2-[2-[6-amino-2-[(1-formyl-2-hydroxy-propyl)amino]azanidyl-hexanoyl]azanidylacetyl]azanidyl-3-oxo-propane-1-thiolate; oxotechnetium(4+) CAS Name: 2-[2-[6-amino-2-[(3-hydroxy-1-oxobutan-2-yl)amino]azanidyl-1-oxohexyl]azanidyl-1-oxoethyl]azanidyl-3-oxo-1-propanethiolate; oxotechnetium(4+) IUPAC Name: 2-[2-[6-amino-2-[(3-hydroxy-1-oxobutan-2-yl)amino]azanidylhexanoyl]azanidylacetyl]azanidyl-3-oxopropane-1-thiolate; oxotechnetium(4+) Traditional Name: 2-[2-[6-amino-2-[(1-formyl-2-hydroxy-propyl)amino]azanidyl-hexanoyl]azanidylacetyl]azanidyl-3-keto-propane-1-thiolate; ketotechnetium(4+) Formula: C15H25N5O6STc MolecularWeight: 501.361116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=O)N[N-]C(CCCCN)C(=O)[N-]CC(=O)[N-]C(C[S-])C=O)O.O=[Tc+4]

Isomeric SMILES

CC(C(C=O)N[N-]C(CCCCN)C(=O)[N-]CC(=O)[N-]C(C[S-])C=O)O.O=[Tc+4]

InChI

InChI=1S/C15H28N5O5S.O.Tc/c1-10(23)13(8-22)20-19-12(4-2-3-5-16)15(25)17-6-14(24)18-11(7-21)9-26;;/h7-8,10-13,20,23H,2-6,9,16H2,1H3,(H3,17,18,24,25,26);;/q-1;;+4/p-3