Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHSW96
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| Ligand Name |
BCPyr
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| Synonyms |
BCPyr; HY-142621; CS-0370837; [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate; TL7
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| Structure |
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Download2D MOL
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| Formula |
C58H65F2N11O8
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| Canonical SMILES |
CC(C(=O)NC(C(=O)N1CC2=C(CC1C(=O)NC3CCCC4=CC=CC=C34)C=CC(=C2)OCC5=CN=C(C=N5)COC(=O)N6CCCC(C6)N7C(=C(C(=N7)C8=CC=C(C=C8)OC9=C(C=C(C=C9)F)F)C(=O)N)N)C(C)(C)C)NC
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| InChI |
1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1
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| InChIKey |
PTEVOZUKHQQUNI-DLUJOBAXSA-N
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| PubChem Compound ID | ||||
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