Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L2B6FD
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| Ligand Name |
tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-8,11,12-triaza-1-azoniatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,7,10-pentaen-9-yl]acetate
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| Structure |
 |
Download2D MOL |
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| Formula |
C23H26ClN4O2S+
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| Canonical SMILES |
CC1=C(SC2=C1C(=NC(C3=NNC(=[N+]32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
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| InChI |
1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/p+1/t17-/m0/s1
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| InChIKey |
DNVXATUJJDPFDM-KRWDZBQOSA-O
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| PubChem Compound ID | ||||
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