2-oxidanylidene-2-[4-oxidanylidene-4-[[(5S)-6-oxidanyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-2-(2-sulfanidylethanoylazanidylmethyl)butyl]azanidyl-ethanethiolate; oxidanylidenetechnetium-99(4+)

Systemtic Name: 2-oxidanylidene-2-[4-oxidanylidene-4-[[(5S)-6-oxidanyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-2-(2-sulfanidylethanoylazanidylmethyl)butyl]azanidyl-ethanethiolate; oxidanylidenetechnetium-99(4+) Openeye Name: 2-[4-[[(5S)-5-(benzyloxycarbonylamino)-6-hydroxy-6-oxo-hexyl]amino]-4-oxo-2-[(2-sulfidoacetyl)azanidylmethyl]butyl]azanidyl-2-oxo-ethanethiolate; oxotechnetium-99(4+) CAS Name: 2-[4-[[(5S)-6-hydroxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-4-oxo-2-[(1-oxo-2-sulfidoethyl)azanidylmethyl]butyl]azanidyl-2-oxoethanethiolate; oxotechnetium-99(4+) IUPAC Name: 2-[4-[[(5S)-6-hydroxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-4-oxo-2-[(2-sulfidoacetyl)azanidylmethyl]butyl]azanidyl-2-oxoethanethiolate; oxotechnetium-99(4+) Traditional Name: 2-[4-[[(5S)-5-(benzyloxycarbonylamino)-6-hydroxy-6-keto-hexyl]amino]-4-keto-2-[(2-sulfidoacetyl)azanidylmethyl]butyl]azanidyl-2-keto-ethanethiolate; ketotechnetium-99(4+) Formula: C23H30N4O8S2Tc MolecularWeight: 653.542555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)CC(C[N-]C(=O)C[S-])C[N-]C(=O)C[S-])C(=O)O.O=[Tc+4]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC(C[N-]C(=O)C[S-])C[N-]C(=O)C[S-])C(=O)O.O=[99Tc+4]

InChI

InChI=1S/C23H34N4O7S2.O.Tc/c28-19(10-17(11-25-20(29)14-35)12-26-21(30)15-36)24-9-5-4-8-18(22(31)32)27-23(33)34-13-16-6-2-1-3-7-16;;/h1-3,6-7,17-18H,4-5,8-15H2,(H7,24,25,26,27,28,29,30,31,32,33,35,36);;/q;;+4/p-4/t18-;;/m0../s1/i;;1+1