Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5S9FJ
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| Ligand Name |
Tert-Butyl [(2s)-1-(1h-Indol-3-Yl)-3-({3-Oxo-3-[(Pyridin-3-Ylmethyl)amino]propyl}sulfanyl)propan-2-Yl]carbamate
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| Synonyms |
CHEMBL3814877; Tert-Butyl [(2s)-1-(1h-Indol-3-Yl)-3-({3-Oxo-3-[(Pyridin-3-Ylmethyl)amino]propyl}sulfanyl)propan-2-Yl]carbamate; SCHEMBL20715217; BDBM50176903; Q27464452; PKT
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| Structure |
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Download2D MOL |
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| Formula |
C25H32N4O3S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)CSCCC(=O)NCC3=CN=CC=C3
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| InChI |
1S/C25H32N4O3S/c1-25(2,3)32-24(31)29-20(13-19-16-27-22-9-5-4-8-21(19)22)17-33-12-10-23(30)28-15-18-7-6-11-26-14-18/h4-9,11,14,16,20,27H,10,12-13,15,17H2,1-3H3,(H,28,30)(H,29,31)/t20-/m0/s1
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| InChIKey |
KSORMZFPXQKUAB-FQEVSTJZSA-N
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| PubChem Compound ID | ||||
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