About 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride
2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride (PubChem CID 71572903) has the molecular formula C38H44F2N6O6S2
and a molecular weight of 782.94 g/mol. Its IUPAC name is 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride.
Analyze 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride?
The IUPAC name of 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride (CID 71572903) is 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride.
What is the SMILES notation for 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride?
The canonical SMILES for 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride is CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)c1csc(C(O)(C(=O)O)c2cccs2)c1C1CCCCC1.F.F.
What is the InChIKey of 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride?
The InChIKey is HUFYAVRPKCYOAE-BCIFOLOKSA-N. The full InChI is InChI=1S/C38H42N6O6S2.2FH/c1-43(29-22-52-36(34(29)24-7-3-2-4-8-24)38(50,37(48)49)32-9-5-18-51-32)16-6-17-44-28-13-10-23(19-27(28)41-42-44)20-39-21-31(46)25-11-14-30(45)35-26(25)12-15-33(47)40-35;;/h5,9-15,18-19,22,24,31,39,45-46,50H,2-4,6-8,16-17,20-21H2,1H3,(H,40,47)(H,48,49);2*1H/t31-,38?;;/m0../s1.
What are the key properties of 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride?
2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride has a molecular weight of 782.94 g/mol, XLogP of 6.12, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid;dihydrofluoride is sourced from PubChem (CID 71572903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).