MOLI000040
Molecular Formula:
C29H34N11NaO9S2Tc+
InChI: InChI=1/C29H37N11O8S2.Na.O.Tc/c30-29-39-23-22(26(44)40-29)37-17(12-36-23)11-35-16-3-1-15(2-4-16)24(42)38-18(27(45)46)5-6-21(41)33-9-10-34-25(43)19(13-49)31-7-8-32-20(14-50)28(47)48;;;/h1-4,12,18-20,35,49-50H,5-11,13-14H2,(H,33,41)(H,34,43)(H,38,42)(H,45,46)(H,47,48)(H3,30,36,39,40,44);;;/q-2;+1;;+5/p-3/t18-,19-,20-;;;/m0.../s1/i;;;1+1/fC29H34N11O8S2.Na.O.Tc/h49-50h,33-34,38-39,45H,30H2;;;/q-5;m;;m/rC29H37N11O8S2.Na.OTc/c30-29-39-23-22(26(44)40-29)37-17(12-36-23)11-35-16-3-1-15(2-4-16)24(42)38-18(27(45)46)5-6-21(41)33-9-10-34-25(43)19(13-49)31-7-8-32-20(14-50)28(47)48;;1-2/h1-4,12,18-20,35,49-50H,5-11,13-14H2,(H,33,41)(H,34,43)(H,38,42)(H,45,46)(H,47,48)(H3,30,36,39,40,44);;/q-2;+1;+5/p-3/t18-,19-,20-;;/m0../s1/i;;2+1/fC29H34N11O8S2.Na.OTc/h49-50h,33-34,38-39,45H,30H2;;/q-5;2m
InChIKey: InChIKey=METIGFVXAXGCFD-UEJBNXJZHX
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)NCCNC(=O)C(C[S-])[N-]CC[N-]C(C[S-])C(=O)[O-])C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O=[Tc+5].[Na+]
Names:
MOLI000040
sodium; (2S)-2-[2-[(1S)-1-[2-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]ethylcarbamoyl]-2-sulfido-ethyl]azanidylethylazanidyl]-3-sulfido-propanoate; oxotechnetium
Registries:
PubChem CID 449669
PubChem ID 37
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