Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L4EJQ1
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| Ligand Name |
2-[2-[2-[2-[2-[[(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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Download2D MOL
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| Formula |
C62H79F2N9O12
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| Canonical SMILES |
CC(C(=O)NC(C(=O)N1CC2=C(CC1C(=O)NC3CCCC4=CC=CC=C34)C=CC(=C2)OCCOCCOCCOCCOCCOC(=O)N5CCCC(C5)N6C(=C(C(=N6)C7=CC=C(C=C7)OC8=C(C=C(C=C8)F)F)C(=O)N)N)C(C)(C)C)NC
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| InChI |
1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1
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| InChIKey |
ZYNKGHHFEDYPKB-HQBWEIPVSA-N
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| PubChem Compound ID | ||||
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