About dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate
dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate (PubChem CID 158734434) has the molecular formula C157H212Br2Cs2N8O43
and a molecular weight of 3325.05 g/mol. Its IUPAC name is dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate.
Frequently Asked Questions
What is the IUPAC name of dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?
The IUPAC name of dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate (CID 158734434) is dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate.
What is the SMILES notation for dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?
The canonical SMILES for dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate is C.C.C.C.CC(=O)O.CCN(CC)CC.COC[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C(=O)OC2CCc3cc4c(cc3C2=O)OCc2cc(C(=O)COC(=O)[C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)ccc2-4)N(C(=O)OC(C)(C)C)C1.C[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.C[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N(C(=O)OC(C)(C)C)C1.C[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCCC4=O)N(C(=O)OC(C)(C)C)C1.N.O=C(CBr)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?
The InChIKey is XWGHVIZOGTTXBF-HEDRNOPRSA-M. The full InChI is InChI=1S/C42H52N2O12.C30H32BrNO7.C30H33NO7.C19H15BrO3.C12H21NO5.C11H19NO4.C6H15N.C2H4O2.CH2O3.4CH4.2Cs.H3N.H/c1-23-13-31(43(18-23)39(49)55-41(2,3)4)37(47)53-22-33(45)26-9-11-28-27(15-26)21-52-35-17-29-25(16-30(28)35)10-12-34(36(29)46)54-38(48)32-14-24(20-51-8)19-44(32)40(50)56-42(5,6)7;1-16-9-24(32(13-16)29(36)39-30(2,3)4)28(35)38-15-25(33)18-5-7-20-19(10-18)14-37-26-12-21-17(11-22(20)26)6-8-23(31)27(21)34;1-17-10-24(31(14-17)29(35)38-30(2,3)4)28(34)37-16-26(33)19-8-9-21-20(11-19)15-36-27-13-22-18(12-23(21)27)6-5-7-25(22)32;20-9-18(22)12-4-5-14-13(6-12)10-23-19-8-15-11(7-16(14)19)2-1-3-17(15)21;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4;1-4-7(5-2)6-3;1-2(3)4;2-1-4-3;;;;;;;;/h9,11,15-17,23-24,31-32,34H,10,12-14,18-22H2,1-8H3;5,7,10-12,16,23-24H,6,8-9,13-15H2,1-4H3;8-9,11-13,17,24H,5-7,10,14-16H2,1-4H3;4-8H,1-3,9-10H2;8-9H,5-7H2,1-4H3,(H,14,15);7-8H,5-6H2,1-4H3,(H,13,14);4-6H2,1-3H3;1H3,(H,3,4);1,3H;4*1H4;;;1H3;/q;;;;;;;;;;;;;2*+1;;-1/p-1/t23-,24-,31-,32-,34?;16-,23?,24-;17-,24-;;8-,9-;7-,8-;;;;;;;;;;;/m000.00.........../s1.
What are the key properties of dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?
dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate has a molecular weight of 3325.05 g/mol, XLogP of 20.68, 26 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;acetic acid;azane;3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)ethyl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;N,N-diethylethanamine;hydride;methane;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate is sourced from PubChem (CID 158734434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).