Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB94ZO
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| Ligand Name |
3-({[(1r)-1-(4-Fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(Methylsulfonyl)amino]benzyl Alpha-Methyl-D-Phenylalaninate
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| Synonyms |
3-({[(1r)-1-(4-Fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(Methylsulfonyl)amino]benzyl Alpha-Methyl-D-Phenylalaninate; CHEMBL218451; BDBM16040; tertiary carbinamine derived inhibitor 7; Q27456623; (3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)methyl (2R)-2-amino-2-methyl-3-phenylpropanoate
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| Structure |
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Download2D MOL |
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| Formula |
C28H32FN3O5S
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| Canonical SMILES |
CC(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)COC(=O)C(C)(CC3=CC=CC=C3)N)N(C)S(=O)(=O)C
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| InChI |
1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1
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| InChIKey |
PTQRJCCBUDSHTQ-WHLCRQNOSA-N
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| PubChem Compound ID | ||||
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