About benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride
benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride (PubChem CID 157491053) has the molecular formula C196H220BBrClN13O30
and a molecular weight of 3364.15 g/mol. Its IUPAC name is benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride.
Frequently Asked Questions
What is the IUPAC name of benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride?
The IUPAC name of benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride (CID 157491053) is benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride?
The canonical SMILES for benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride is Brc1ccc(Oc2ccccc2)cc1.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCC=C(c2ccc(Oc3ccccc3)cc2)C1.CC(C)(C)OC(=O)N1CCCC(c2ccc(Oc3ccccc3)cc2)C1.COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C[C@H]3C(=O)N(C(=O)N4CCCC(c5ccc(Oc6ccccc6)cc5)C4)[C@@H]3C(=O)O)ccn2)cc1.COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C[C@H]3C(=O)N(C(=O)N4CCCC(c5ccc(Oc6ccccc6)cc5)C4)[C@@H]3C(=O)OCc3ccccc3)ccn2)cc1.O=C(Cl)N1CCCC(c2ccc(Oc3ccccc3)cc2)C1.c1ccc(Oc2ccc(C3CCCNC3)cc2)cc1.
What is the InChIKey of benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride?
The InChIKey is BXGZCHDECYSUOC-WKKVCVQOSA-N. The full InChI is InChI=1S/C48H50N4O8.C41H44N4O8.C22H27NO3.C22H25NO3.C18H18ClNO2.C17H19NO.C16H28BNO4.C12H9BrO/c1-48(2,3)60-47(56)51(30-33-17-21-38(57-4)22-18-33)42-29-35(25-26-49-42)28-41-43(45(54)58-32-34-12-7-5-8-13-34)52(44(41)53)46(55)50-27-11-14-37(31-50)36-19-23-40(24-20-36)59-39-15-9-6-10-16-39;1-41(2,3)53-40(50)44(25-27-12-16-31(51-4)17-13-27)35-24-28(20-21-42-35)23-34-36(38(47)48)45(37(34)46)39(49)43-22-8-9-30(26-43)29-14-18-33(19-15-29)52-32-10-6-5-7-11-32;2*1-22(2,3)26-21(24)23-15-7-8-18(16-23)17-11-13-20(14-12-17)25-19-9-5-4-6-10-19;19-18(21)20-12-4-5-15(13-20)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16;1-2-6-16(7-3-1)19-17-10-8-14(9-11-17)15-5-4-12-18-13-15;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h5-10,12-13,15-26,29,37,41,43H,11,14,27-28,30-32H2,1-4H3;5-7,10-21,24,30,34,36H,8-9,22-23,25-26H2,1-4H3,(H,47,48);4-6,9-14,18H,7-8,15-16H2,1-3H3;4-6,8-14H,7,15-16H2,1-3H3;1-3,6-11,15H,4-5,12-13H2;1-3,6-11,15,18H,4-5,12-13H2;9H,8,10-11H2,1-7H3;1-9H/t37?,41-,43+;30?,34-,36+;;;;;;/m11....../s1.
What are the key properties of benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride?
benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride has a molecular weight of 3364.15 g/mol, XLogP of 43.70, 37 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylate;1-bromo-4-phenoxybenzene;tert-butyl 5-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(4-phenoxyphenyl)piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(2S,3R)-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-4-oxo-1-[3-(4-phenoxyphenyl)piperidine-1-carbonyl]azetidine-2-carboxylic acid;3-(4-phenoxyphenyl)piperidine;3-(4-phenoxyphenyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 157491053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).