About 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate (PubChem CID 164985346) has the molecular formula C172H246N24O49
and a molecular weight of 3433.98 g/mol. Its IUPAC name is 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate (CID 164985346) is 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate is CC(C)(C)OC(=O)NCCOCCOCCN.COC(=O)c1cccc(CN2CCOCCOCCN(C(c3ccc(C(=O)NCCOCCOCCN)cc3)c3cccc(C(=O)OC)n3)CCOCCOCC2)n1.COC(=O)c1cccc(CN2CCOCCOCCN(C(c3ccc(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)cc3)c3cccc(C(=O)OC)n3)CCOCCOCC2)n1.COC(=O)c1cccc(CN2CCOCCOCCN(C(c3ccc(C(=O)O)cc3)c3cccc(C)n3)CCOCCOCC2)n1.NCCOCCOCCNC(=O)c1ccc(C(c2cccc(C(=O)O)n2)N2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCCOCC2)cc1.O=C=O.
What is the InChIKey of 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate?
The InChIKey is GBRMARJURKMODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H66N6O13.C41H58N6O11.C39H54N6O11.C34H44N4O8.C11H24N2O4.CO2/c1-46(2,3)65-45(56)48-17-23-60-29-28-59-22-16-47-42(53)36-14-12-35(13-15-36)41(38-9-7-11-40(50-38)44(55)58-5)52-20-26-63-32-30-61-24-18-51(19-25-62-31-33-64-27-21-52)34-37-8-6-10-39(49-37)43(54)57-4;1-51-40(49)36-7-3-5-34(44-36)31-46-15-21-55-27-29-57-23-17-47(18-24-58-30-28-56-22-16-46)38(35-6-4-8-37(45-35)41(50)52-2)32-9-11-33(12-10-32)39(48)43-14-20-54-26-25-53-19-13-42;40-11-17-51-23-24-52-18-12-41-37(46)31-9-7-30(8-10-31)36(33-4-2-6-35(43-33)39(49)50)45-15-21-55-27-25-53-19-13-44(14-20-54-26-28-56-22-16-45)29-32-3-1-5-34(42-32)38(47)48;1-26-5-3-7-30(35-26)32(27-9-11-28(12-10-27)33(39)40)38-15-19-45-23-21-43-17-13-37(14-18-44-22-24-46-20-16-38)25-29-6-4-8-31(36-29)34(41)42-2;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;2-1-3/h6-15,41H,16-34H2,1-5H3,(H,47,53)(H,48,56);3-12,38H,13-31,42H2,1-2H3,(H,43,48);1-10,36H,11-29,40H2,(H,41,46)(H,47,48)(H,49,50);3-12,32H,13-25H2,1-2H3,(H,39,40);4-9,12H2,1-3H3,(H,13,14);.
What are the key properties of 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate?
6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate has a molecular weight of 3433.98 g/mol, XLogP of 9.79, 64 rotatable bonds, 11 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;carbon dioxide;4-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(6-methyl-2-pyridinyl)methyl]benzoic acid;methyl 6-[[16-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]phenyl]-(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate;methyl 6-[[16-[(6-methoxycarbonyl-2-pyridinyl)-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 164985346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).