Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGQ6X4
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| Ligand Name |
tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
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| Synonyms |
tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate; Y83
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| Structure |
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Download2D MOL
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| Formula |
C31H37N5O3S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)CSCC(C(=O)NCC3=CN=CC=C3)NC4=CC=CC=C4
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| InChI |
1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28+/m0/s1
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| InChIKey |
YCHZAYWZVPKZNW-LBNVMWSVSA-N
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| PubChem Compound ID | ||||
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