2-[3-[(1S,3R,4S,5R)-3-naphthalen-2-yl-4-propanoyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanidylethyl)amino]-N-(2-sulfanidylethyl)ethanimidate; oxidanylidenetechnetium-99(3+)

Systemtic Name: 2-[3-[(1S,3R,4S,5R)-3-naphthalen-2-yl-4-propanoyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanidylethyl)amino]-N-(2-sulfanidylethyl)ethanimidate; oxidanylidenetechnetium-99(3+) Openeye Name: 2-[3-[(1S,3R,4S,5R)-3-(2-naphthyl)-4-propanoyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+) CAS Name: 2-[3-[(1S,3R,4S,5R)-3-(2-naphthalenyl)-4-(1-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+) IUPAC Name: 2-[3-[(1S,3R,4S,5R)-3-naphthalen-2-yl-4-propanoyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+) Traditional Name: ketotechnetium-99(3+); 2-[3-[(1S,3R,4S,5R)-3-(2-naphthyl)-4-propionyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)acetimidate Formula: C29H38N3O3S2Tc MolecularWeight: 639.666575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2CCC(N2CCCN(CC[S-])CC(=NCC[S-])[O-])CC1C3=CC4=CC=CC=C4C=C3.O=[Tc+3]

Isomeric SMILES

CCC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCN(CC[S-])CC(=NCC[S-])[O-])C[C@H]1C3=CC4=CC=CC=C4C=C3.O=[99Tc+3]

InChI

InChI=1S/C29H41N3O2S2.O.Tc/c1-2-27(33)29-25(23-9-8-21-6-3-4-7-22(21)18-23)19-24-10-11-26(29)32(24)14-5-13-31(15-17-36)20-28(34)30-12-16-35;;/h3-4,6-9,18,24-26,29,35-36H,2,5,10-17,19-20H2,1H3,(H,30,34);;/q;;+3/p-3/t24-,25-,26+,29-;;/m0../s1/i;;1+1