Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LF2BE5
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| Ligand Name |
tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
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| Synonyms |
tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate; X6S
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| Structure |
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Download2D MOL
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| Formula |
C35H41N3O3S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CC=CC2=CC=CC=C21)CSC(CC3=CC=CC=C3)C(=O)NCCCC4=CN=CC=C4
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| InChI |
1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m0/s1
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| InChIKey |
XDOKSTKEPWQDPB-XDFJSJKPSA-N
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| PubChem Compound ID | ||||
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