Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LFC4Y3
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| Ligand Name |
N-{(1s)-2-({(1s,2r)-1-(3,5-Difluorobenzyl)-3-[(3-Ethylbenzyl)amino]-2-Hydroxypropyl}amino)-2-Oxo-1-[(Pentylsulfonyl)methyl]ethyl}nicotinamide
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| Synonyms |
N-{(1s)-2-({(1s,2r)-1-(3,5-Difluorobenzyl)-3-[(3-Ethylbenzyl)amino]-2-Hydroxypropyl}amino)-2-Oxo-1-[(Pentylsulfonyl)methyl]ethyl}nicotinamide; Q27462548
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| Structure |
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Download2D MOL
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| Formula |
C33H42F2N4O5S
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| Canonical SMILES |
CCCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)C3=CN=CC=C3
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| InChI |
1S/C33H42F2N4O5S/c1-3-5-6-13-45(43,44)22-30(39-32(41)26-11-8-12-36-20-26)33(42)38-29(17-25-15-27(34)18-28(35)16-25)31(40)21-37-19-24-10-7-9-23(4-2)14-24/h7-12,14-16,18,20,29-31,37,40H,3-6,13,17,19,21-22H2,1-2H3,(H,38,42)(H,39,41)/t29-,30+,31+/m0/s1
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| InChIKey |
IOTPZWJUHSYLHJ-OJDZSJEKSA-N
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| PubChem Compound ID | ||||
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