2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate

C335H411N19O80 — CID 158487071

IUPAC2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate
SMILESC=CC(=O)CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCC(=O)Cc3ccc(Cc4ccc(CC(=O)CCCNC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCC(COc1ccccc1)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(COC(=O)C=C)COc5ccccc5)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCN(C(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)N(CCOC(=O)C=C)C(C)(C)C)cc4)cc3)cc2)cc1)C(C)(C)C.C=CC(=O)OCCOC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCCOC(=O)CCC2(C)CC(NC(=O)OCCOC(=O)C=C)CC(C)(C)C2)C1.C=CC(=O)OCCOC(=O)CCCCCCCNC(=O)OCCCCOC(=O)CCCCCCCNC(=O)OCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H60N2O14.C54H66N4O10.C50H56N2O14.C50H56N2O12.C49H57N5O6.C40H64N2O12.C32H52N2O12/c1-3-55(63)73-41-53(39-71-51-13-7-5-8-14-51)75-58(66)38-48-23-19-44(20-24-48)35-43-17-21-47(22-18-43)37-57(65)69-33-11-12-34-70-59(67)61-49-29-25-45(26-30-49)36-46-27-31-50(32-28-46)62-60(68)76-54(42-74-56(64)4-2)40-72-52-15-9-6-10-16-52;1-9-48(60)66-33-29-57(53(3,4)5)47(59)37-43-17-13-39(14-18-43)35-40-15-19-44(20-16-40)38-50(62)65-31-11-12-32-68-52(64)56-46-27-23-42(24-28-46)36-41-21-25-45(26-22-41)55-51(63)58(54(6,7)8)30-34-67-49(61)10-2;1-3-45(53)62-29-25-59-27-31-64-48(56)36-42-13-9-38(10-14-42)33-37-7-11-41(12-8-37)35-47(55)61-23-5-6-24-65-49(57)51-43-19-15-39(16-20-43)34-40-17-21-44(22-18-40)52-50(58)66-32-28-60-26-30-63-46(54)4-2;1-3-45(53)59-27-5-6-29-61-47(55)35-41-15-11-37(12-16-41)33-38-13-17-42(18-14-38)36-48(56)62-30-8-10-32-64-50(58)52-44-25-21-40(22-26-44)34-39-19-23-43(24-20-39)51-49(57)63-31-9-7-28-60-46(54)4-2;1-3-44(55)11-8-31-52-49(60)54-43-27-23-39(24-28-43)33-38-21-25-42(26-22-38)53-48(59)51-29-7-5-6-10-45(56)34-40-17-13-36(14-18-40)32-37-15-19-41(20-16-37)35-46(57)12-9-30-50-47(58)4-2;1-9-31(43)50-17-18-52-34(46)21-29-22-37(3,4)27-40(8,23-29)28-41-35(47)53-16-12-11-15-49-33(45)13-14-39(7)25-30(24-38(5,6)26-39)42-36(48)54-20-19-51-32(44)10-2;1-3-27(35)42-23-24-44-30(38)18-12-8-6-9-13-19-33-31(39)45-22-16-15-21-41-29(37)17-11-7-5-10-14-20-34-32(40)46-26-25-43-28(36)4-2/h3-10,13-32,53-54H,1-2,11-12,33-42H2,(H,61,67)(H,62,68);9-10,13-28H,1-2,11-12,29-38H2,3-8H3,(H,55,63)(H,56,64);3-4,7-22H,1-2,5-6,23-36H2,(H,51,57)(H,52,58);3-4,11-26H,1-2,5-10,27-36H2,(H,51,57)(H,52,58);3-4,13-28H,1-2,5-12,29-35H2,(H,50,58)(H2,51,53,59)(H2,52,54,60);9-10,29-30H,1-2,11-28H2,3-8H3,(H,41,47)(H,42,48);3-4H,1-2,5-26H2,(H,33,39)(H,34,40)
InChIKeyHIFQBWFCZJMPMN-UHFFFAOYSA-N
MW5984.03 g/mol
LogP53.97
Rot. Bonds184

About 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate

2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate (PubChem CID 158487071) has the molecular formula C335H411N19O80 and a molecular weight of 5984.03 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate.

Molecular Properties

Compound Name2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate
PubChem CID158487071
Molecular FormulaC335H411N19O80
Molecular Weight5984.03 g/mol
Exact Mass5979.87
IUPAC Name2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate
SMILESC=CC(=O)CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCC(=O)Cc3ccc(Cc4ccc(CC(=O)CCCNC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCC(COc1ccccc1)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(COC(=O)C=C)COc5ccccc5)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCN(C(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)N(CCOC(=O)C=C)C(C)(C)C)cc4)cc3)cc2)cc1)C(C)(C)C.C=CC(=O)OCCOC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCCOC(=O)CCC2(C)CC(NC(=O)OCCOC(=O)C=C)CC(C)(C)C2)C1.C=CC(=O)OCCOC(=O)CCCCCCCNC(=O)OCCCCOC(=O)CCCCCCCNC(=O)OCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H60N2O14.C54H66N4O10.C50H56N2O14.C50H56N2O12.C49H57N5O6.C40H64N2O12.C32H52N2O12/c1-3-55(63)73-41-53(39-71-51-13-7-5-8-14-51)75-58(66)38-48-23-19-44(20-24-48)35-43-17-21-47(22-18-43)37-57(65)69-33-11-12-34-70-59(67)61-49-29-25-45(26-30-49)36-46-27-31-50(32-28-46)62-60(68)76-54(42-74-56(64)4-2)40-72-52-15-9-6-10-16-52;1-9-48(60)66-33-29-57(53(3,4)5)47(59)37-43-17-13-39(14-18-43)35-40-15-19-44(20-16-40)38-50(62)65-31-11-12-32-68-52(64)56-46-27-23-42(24-28-46)36-41-21-25-45(26-22-41)55-51(63)58(54(6,7)8)30-34-67-49(61)10-2;1-3-45(53)62-29-25-59-27-31-64-48(56)36-42-13-9-38(10-14-42)33-37-7-11-41(12-8-37)35-47(55)61-23-5-6-24-65-49(57)51-43-19-15-39(16-20-43)34-40-17-21-44(22-18-40)52-50(58)66-32-28-60-26-30-63-46(54)4-2;1-3-45(53)59-27-5-6-29-61-47(55)35-41-15-11-37(12-16-41)33-38-13-17-42(18-14-38)36-48(56)62-30-8-10-32-64-50(58)52-44-25-21-40(22-26-44)34-39-19-23-43(24-20-39)51-49(57)63-31-9-7-28-60-46(54)4-2;1-3-44(55)11-8-31-52-49(60)54-43-27-23-39(24-28-43)33-38-21-25-42(26-22-38)53-48(59)51-29-7-5-6-10-45(56)34-40-17-13-36(14-18-40)32-37-15-19-41(20-16-37)35-46(57)12-9-30-50-47(58)4-2;1-9-31(43)50-17-18-52-34(46)21-29-22-37(3,4)27-40(8,23-29)28-41-35(47)53-16-12-11-15-49-33(45)13-14-39(7)25-30(24-38(5,6)26-39)42-36(48)54-20-19-51-32(44)10-2;1-3-27(35)42-23-24-44-30(38)18-12-8-6-9-13-19-33-31(39)45-22-16-15-21-41-29(37)17-11-7-5-10-14-20-34-32(40)46-26-25-43-28(36)4-2/h3-10,13-32,53-54H,1-2,11-12,33-42H2,(H,61,67)(H,62,68);9-10,13-28H,1-2,11-12,29-38H2,3-8H3,(H,55,63)(H,56,64);3-4,7-22H,1-2,5-6,23-36H2,(H,51,57)(H,52,58);3-4,11-26H,1-2,5-10,27-36H2,(H,51,57)(H,52,58);3-4,13-28H,1-2,5-12,29-35H2,(H,50,58)(H2,51,53,59)(H2,52,54,60);9-10,29-30H,1-2,11-28H2,3-8H3,(H,41,47)(H,42,48);3-4H,1-2,5-26H2,(H,33,39)(H,34,40)
InChIKeyHIFQBWFCZJMPMN-UHFFFAOYSA-N
XLogP53.97
TPSA1278.67 Ų
H-Bond Donors17
H-Bond Acceptors80
Rotatable Bonds184
Heavy Atoms434
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005984.03
LogP ≤ 553.97
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1080

Analyze 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate with MolForge

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Related Compounds

[2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate
CID 161367544
5-[5-[3-[1,3,3-trimethyl-5-[[3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2-[3-[1,3,3-trimethyl-5-(3-prop-2-enoyloxypropoxycarbonylamino)cyclohexyl]propanoyloxy]propoxy]carbonylamino]cyclohexyl]propanoyloxy]pentoxycarbonyloxy]pentyl 3-[1,3,3-trimethyl-5-[4-[2-[3,3,5-trimethyl-5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]acetyl]oxybutoxycarbonylamino]cyclohexyl]propanoate
CID 161279498
2-prop-2-enoyloxyethyl 6-[6-[[3,3,5-trimethyl-5-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl]cyclohexyl]carbamoyloxy]hexanoyloxy]hexanoate
CID 153268686
4-[2-[3,3,5-trimethyl-5-[[4-(2-methylprop-2-enoyloxy)butoxycarbonylamino]methyl]cyclohexyl]acetyl]oxybutyl 2-methylprop-2-enoate;2-[2-[2-[3,3,5-trimethyl-5-[[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxycarbonylamino]methyl]cyclohexyl]acetyl]oxyethoxy]ethyl 2-methylprop-2-enoate;4-[2-[3,3,5-trimethyl-5-[(4-prop-2-enoyloxybutoxycarbonylamino)methyl]cyclohexyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[3,3,5-trimethyl-5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]cyclohexyl]acetyl]oxyethoxy]ethyl prop-2-enoate
CID 160658782
3-[methyl-[(3E,5Z)-octa-3,5,7-trienoyl]amino]propyl 2-[3,3,5-trimethyl-5-[[3-[methyl(phenylcarbamoyl)amino]propoxycarbonylamino]methyl]cyclohexyl]acetate
CID 162234835
3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate
CID 157237790
4-[[4-[[4-[2-[2-[4-[2-[4-[2-[2-[4-[[4-[4-[[4-[[4-[1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-yloxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxycarbonylamino]phenyl]methyl]phenyl]acetyl]oxyethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butyl 2-[4-[[4-[1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-yloxycarbonylamino]phenyl]methyl]phenyl]acetate;deuterio(iodo)methane
CID 158870405
ethyl 2-[3-[[[5-(benzylamino)-5-oxopentoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetate
CID 159485794
2-[tert-butyl-[2-[4-[[4-[2-[[4-[[4-[[4-[6-[6-[6-[6-[[4-[[4-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]hexoxycarbonyloxy]hexoxycarbonyloxy]hexoxycarbonyloxy]hexoxycarbonyloxymethyl]cyclohexyl]methoxycarbonyloxymethyl]cyclohexyl]methoxycarbonyloxymethyl]cyclohexyl]methoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl 2-methylprop-2-enoate
CID 159511359
[2-[2-[4-methyl-3-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate
CID 157402057
[4-oxo-5-[3,3,5-trimethyl-5-[(methylcarbamoylamino)methyl]cyclohexyl]pentyl] prop-2-enoate
CID 147175353
3-[methyl(4-phenylbutanoyl)amino]propyl 2-[3,3,5-trimethyl-5-[[3-[methyl(2-phenylethylcarbamoyl)amino]propoxycarbonylamino]methyl]cyclohexyl]acetate
CID 158775036

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate?
The IUPAC name of 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate (CID 158487071) is 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate.
What is the SMILES notation for 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate?
The canonical SMILES for 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate is C=CC(=O)CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCC(=O)Cc3ccc(Cc4ccc(CC(=O)CCCNC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCC(COc1ccccc1)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(COC(=O)C=C)COc5ccccc5)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCN(C(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)N(CCOC(=O)C=C)C(C)(C)C)cc4)cc3)cc2)cc1)C(C)(C)C.C=CC(=O)OCCOC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCCCCOC(=O)CCC2(C)CC(NC(=O)OCCOC(=O)C=C)CC(C)(C)C2)C1.C=CC(=O)OCCOC(=O)CCCCCCCNC(=O)OCCCCOC(=O)CCCCCCCNC(=O)OCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)Cc1ccc(Cc2ccc(CC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate?
The InChIKey is HIFQBWFCZJMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N2O14.C54H66N4O10.C50H56N2O14.C50H56N2O12.C49H57N5O6.C40H64N2O12.C32H52N2O12/c1-3-55(63)73-41-53(39-71-51-13-7-5-8-14-51)75-58(66)38-48-23-19-44(20-24-48)35-43-17-21-47(22-18-43)37-57(65)69-33-11-12-34-70-59(67)61-49-29-25-45(26-30-49)36-46-27-31-50(32-28-46)62-60(68)76-54(42-74-56(64)4-2)40-72-52-15-9-6-10-16-52;1-9-48(60)66-33-29-57(53(3,4)5)47(59)37-43-17-13-39(14-18-43)35-40-15-19-44(20-16-40)38-50(62)65-31-11-12-32-68-52(64)56-46-27-23-42(24-28-46)36-41-21-25-45(26-22-41)55-51(63)58(54(6,7)8)30-34-67-49(61)10-2;1-3-45(53)62-29-25-59-27-31-64-48(56)36-42-13-9-38(10-14-42)33-37-7-11-41(12-8-37)35-47(55)61-23-5-6-24-65-49(57)51-43-19-15-39(16-20-43)34-40-17-21-44(22-18-40)52-50(58)66-32-28-60-26-30-63-46(54)4-2;1-3-45(53)59-27-5-6-29-61-47(55)35-41-15-11-37(12-16-41)33-38-13-17-42(18-14-38)36-48(56)62-30-8-10-32-64-50(58)52-44-25-21-40(22-26-44)34-39-19-23-43(24-20-39)51-49(57)63-31-9-7-28-60-46(54)4-2;1-3-44(55)11-8-31-52-49(60)54-43-27-23-39(24-28-43)33-38-21-25-42(26-22-38)53-48(59)51-29-7-5-6-10-45(56)34-40-17-13-36(14-18-40)32-37-15-19-41(20-16-37)35-46(57)12-9-30-50-47(58)4-2;1-9-31(43)50-17-18-52-34(46)21-29-22-37(3,4)27-40(8,23-29)28-41-35(47)53-16-12-11-15-49-33(45)13-14-39(7)25-30(24-38(5,6)26-39)42-36(48)54-20-19-51-32(44)10-2;1-3-27(35)42-23-24-44-30(38)18-12-8-6-9-13-19-33-31(39)45-22-16-15-21-41-29(37)17-11-7-5-10-14-20-34-32(40)46-26-25-43-28(36)4-2/h3-10,13-32,53-54H,1-2,11-12,33-42H2,(H,61,67)(H,62,68);9-10,13-28H,1-2,11-12,29-38H2,3-8H3,(H,55,63)(H,56,64);3-4,7-22H,1-2,5-6,23-36H2,(H,51,57)(H,52,58);3-4,11-26H,1-2,5-10,27-36H2,(H,51,57)(H,52,58);3-4,13-28H,1-2,5-12,29-35H2,(H,50,58)(H2,51,53,59)(H2,52,54,60);9-10,29-30H,1-2,11-28H2,3-8H3,(H,41,47)(H,42,48);3-4H,1-2,5-26H2,(H,33,39)(H,34,40).
What are the key properties of 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate?
2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate has a molecular weight of 5984.03 g/mol, XLogP of 53.97, 184 rotatable bonds, 17 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[4-[[4-[2-[4-[[4-[[4-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]amino]ethyl prop-2-enoate;N-[4-oxo-5-[4-[[4-[2-oxo-7-[[4-[[4-(4-oxohex-5-enylcarbamoylamino)phenyl]methyl]phenyl]carbamoylamino]heptyl]phenyl]methyl]phenyl]pentyl]prop-2-enamide;[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxy-3-phenoxypropyl] prop-2-enoate;4-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-(4-prop-2-enoyloxybutoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxybutyl prop-2-enoate;2-[2-[2-[4-[[4-[2-oxo-2-[4-[[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]butoxy]ethyl]phenyl]methyl]phenyl]acetyl]oxyethoxy]ethyl prop-2-enoate;4-[[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]carbamoyloxy]butyl 8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;4-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxy]butyl 3-[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]propanoate is sourced from PubChem (CID 158487071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).