Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7YV5K
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| Ligand Name |
1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea
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| Synonyms |
CHEMBL3797711; 1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea; 7I6; BDBM50164676; J3.621.072I; Q27456733; 1-(4-Aminobenzyl)-3-[(S)-1-[[2beta-(2-methylthiophenyl)pyrrolidine-1-yl]carbonyl]-3-(methylthio)propyl]urea
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| Structure |
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Download2D MOL |
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| Formula |
C24H32N4O2S2
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| Canonical SMILES |
CSCCC(C(=O)N1CCCC1C2=CC=CC=C2SC)NC(=O)NCC3=CC=C(C=C3)N
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| InChI |
1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1
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| InChIKey |
SXQHCTVKKRKZEF-LEWJYISDSA-N
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| PubChem Compound ID | ||||
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