Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBI3U4
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| Ligand Name |
(R)-2-(3-(3-((2,4-Difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid
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| Synonyms |
CHEMBL3125475; (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID; 4c52; BDBM50448930; Q27467391; (R)-2-(3-(3-((2,4-Difluoropenyl)ethynyl)benzoyl)-3-Propylureido)-3-(Isobutylthio)propanoic Acid; (R)-2-[3-Propyl-3-[3-[(2,4-difluorophenyl)ethynyl]benzoyl]ureido]-3-(isobutylthio)propanoic acid; X0D
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| Structure |
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Download2D MOL |
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| Formula |
C26H28F2N2O4S
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| Canonical SMILES |
CCCN(C(=O)C1=CC=CC(=C1)C#CC2=C(C=C(C=C2)F)F)C(=O)NC(CSCC(C)C)C(=O)O
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| InChI |
1S/C26H28F2N2O4S/c1-4-12-30(26(34)29-23(25(32)33)16-35-15-17(2)3)24(31)20-7-5-6-18(13-20)8-9-19-10-11-21(27)14-22(19)28/h5-7,10-11,13-14,17,23H,4,12,15-16H2,1-3H3,(H,29,34)(H,32,33)/t23-/m0/s1
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| InChIKey |
KBNODIQMRDIBMX-QHCPKHFHSA-N
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| PubChem Compound ID | ||||
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