N-[2-[[(1-oxidanidyl-2-sulfanidyl-ethylidene)amino]methyl]-4-oxidanylidene-4-[[(5S)-6-oxidanyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]butyl]-2-sulfanidyl-ethanimidate; oxidanylidenetechnetium-99(4+)

Systemtic Name: N-[2-[[(1-oxidanidyl-2-sulfanidyl-ethylidene)amino]methyl]-4-oxidanylidene-4-[[(5S)-6-oxidanyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]butyl]-2-sulfanidyl-ethanimidate; oxidanylidenetechnetium-99(4+) Openeye Name: N-[4-[[(5S)-5-(benzyloxycarbonylamino)-6-hydroxy-6-oxo-hexyl]amino]-2-[[(1-oxido-2-sulfido-ethylidene)amino]methyl]-4-oxo-butyl]-2-sulfido-ethanimidate; oxotechnetium-99(4+) CAS Name: N-[4-[[(5S)-6-hydroxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-2-[[(1-oxido-2-sulfidoethylidene)amino]methyl]-4-oxobutyl]-2-sulfidoethanimidate; oxotechnetium-99(4+) IUPAC Name: N-[4-[[(5S)-6-hydroxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-2-[[(1-oxido-2-sulfidoethylidene)amino]methyl]-4-oxobutyl]-2-sulfidoethanimidate; oxotechnetium-99(4+) Traditional Name: N-[4-[[(5S)-5-(benzyloxycarbonylamino)-6-hydroxy-6-keto-hexyl]amino]-4-keto-2-[[(1-oxido-2-sulfido-ethylidene)amino]methyl]butyl]-2-sulfido-acetimidate; 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(CN=C(C[S-])[O-])CN=C(C[S-])[O-])C(=O)O.O=[Tc+4]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC(CN=C(C[S-])[O-])CN=C(C[S-])[O-])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;;/h1-3,6-7,17-18,35-36H,4-5,8-15H2,(H,24,28)(H,25,29)(H,26,30)(H,27,33)(H,31,32);;/q;;+4/p-4/t18-;;/m0../s1/i;;1+1