About 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid
4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid (PubChem CID 157170096) has the molecular formula C157H183F3N12O23S2
and a molecular weight of 2727.38 g/mol. Its IUPAC name is 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid?
The IUPAC name of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid (CID 157170096) is 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid.
What is the SMILES notation for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid?
The canonical SMILES for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid is CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C1CCCC2(C)C(=O)O)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCOC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCOC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccs3)c12.
What is the InChIKey of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid?
The InChIKey is ANJCCUYWYVVETP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31FN2O4.C27H32N2O3S.C26H34N2O3.C25H27FN2O5.C25H28N2O4S/c1-16(18-15-29-20-8-3-6-17(25(18)20)22-10-11-23(28)34-22)14-24(31)30-13-5-7-19-21(30)9-4-12-27(19,2)26(32)33;1-16(18-15-29-20-8-3-6-17(25(18)20)21-10-11-23(28)34-21)14-24(31)30-13-5-12-27(2)19(26(32)33)7-4-9-22(27)30;1-17(19-16-28-21-9-3-7-18(25(19)21)22-10-5-14-33-22)15-24(30)29-13-6-12-27(2)20(26(31)32)8-4-11-23(27)29;1-16(19-15-27-21-8-3-6-18(24(19)21)17-10-11-17)14-23(29)28-13-5-12-26(2)20(25(30)31)7-4-9-22(26)28;1-14(12-22(29)28-10-11-32-24-16(25(30)31)5-3-7-19(24)28)17-13-27-18-6-2-4-15(23(17)18)20-8-9-21(26)33-20;1-15(18-14-26-19-7-2-5-16(23(18)19)21-9-4-12-32-21)13-22(28)27-10-11-31-24-17(25(29)30)6-3-8-20(24)27/h3,6,8,10-11,15-16,19,21,29H,4-5,7,9,12-14H2,1-2H3,(H,32,33);3,6,8,10-11,15-16,19,22,29H,4-5,7,9,12-14H2,1-2H3,(H,32,33);3,5,7,9-10,14,16-17,20,23,28H,4,6,8,11-13,15H2,1-2H3,(H,31,32);3,6,8,15-17,20,22,27H,4-5,7,9-14H2,1-2H3,(H,30,31);2,4,6,8-9,13-14,16,19,24,27H,3,5,7,10-12H2,1H3,(H,30,31);2,4-5,7,9,12,14-15,17,20,24,26H,3,6,8,10-11,13H2,1H3,(H,29,30).
What are the key properties of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid?
4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid has a molecular weight of 2727.38 g/mol, XLogP of 32.99, 30 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-5-methyl-2,3,4,4a,6,7,8,8a-octahydroquinoline-5-carboxylic acid;4-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-8-carboxylic acid is sourced from PubChem (CID 157170096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).