6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane

C316H463N7O84 — CID 159954237

IUPAC6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane
SMILESCC1C(=O)OC(=O)C1C1C2CC(C(C(=O)O)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(C(C(=O)O)C2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CCC
InChIInChI=1S/C70H102N2O20.C69H102N2O18.C61H89NO16.C57H81NO16.C56H81NO14.C3H8/c1-32-34-26-38(41(27-34)62(80)90-68(3,4)5)46(32)48-35-28-39(40(29-35)61(79)88-25-22-73)49(48)51-42-30-43(55(59(76)77)54(42)58(74)75)52(51)53-45-31-44(50(53)47-33(2)60(78)89-65(47)83)56(63(81)86-23-18-36-16-12-14-20-71(36)66(84)91-69(6,7)8)57(45)64(82)87-24-19-37-17-13-15-21-72(37)67(85)92-70(9,10)11;1-33-35-26-41(45(27-35)61(77)87-67(3,4)5)48(33)50-37-29-42(44(31-37)60(76)85-25-22-72)52(50)51-36-28-40(43(30-36)58(73)74)53(51)55-47-32-46(54(55)49-34(2)59(75)86-64(49)80)56(62(78)83-23-18-38-16-12-14-20-70(38)65(81)88-68(6,7)8)57(47)63(79)84-24-19-39-17-13-15-21-71(39)66(82)89-69(9,10)11;1-27-29-20-34(38(21-29)54(68)76-59(3,4)5)41(27)43-31-23-35(37(25-31)53(67)74-19-17-63)45(43)44-30-22-33(36(24-30)51(64)65)46(44)48-40-26-39(47(48)42-28(2)52(66)75-56(42)70)49(50(40)57(71)77-60(6,7)8)55(69)73-18-15-32-14-12-13-16-62(32)58(72)78-61(9,10)11;1-24-26-17-31(35(18-26)52(66)73-56(3,4)5)38(24)40-28-20-32(34(22-28)51(65)71-16-14-59)42(40)41-27-19-30(33(21-27)48(60)61)43(41)45-36-23-37(44(45)39-25(2)50(64)72-54(39)68)47(46(36)49(62)63)53(67)70-15-12-29-11-9-10-13-58(29)55(69)74-57(6,7)8;1-25-27-17-33(39(18-27)52(64)70-55(3,4)5)40(25)42-29-20-35(38(23-29)51(63)68-16-14-58)47(42)44-28-19-32(36(22-28)48(59)60)46(44)43-30-21-34(45(43)41-26(2)49(61)69-53(41)65)37(24-30)50(62)67-15-12-31-11-9-10-13-57(31)54(66)71-56(6,7)8;1-3-2/h32-57,73H,12-31H2,1-11H3,(H,74,75)(H,76,77);33-57,72H,12-32H2,1-11H3,(H,73,74);27-50,63H,12-26H2,1-11H3,(H,64,65);24-47,59H,9-23H2,1-8H3,(H,60,61)(H,62,63);25-47,58H,9-24H2,1-8H3,(H,59,60);3H2,1-2H3
InChIKeyOCMWHQOVZCJOQC-UHFFFAOYSA-N
MW5704.15 g/mol
LogP42.40
Rot. Bonds76

About 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane

6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane (PubChem CID 159954237) has the molecular formula C316H463N7O84 and a molecular weight of 5704.15 g/mol. Its IUPAC name is 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane.

Molecular Properties

Compound Name6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane
PubChem CID159954237
Molecular FormulaC316H463N7O84
Molecular Weight5704.15 g/mol
Exact Mass5700.22
IUPAC Name6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane
SMILESCC1C(=O)OC(=O)C1C1C2CC(C(C(=O)O)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(C(C(=O)O)C2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CCC
InChIInChI=1S/C70H102N2O20.C69H102N2O18.C61H89NO16.C57H81NO16.C56H81NO14.C3H8/c1-32-34-26-38(41(27-34)62(80)90-68(3,4)5)46(32)48-35-28-39(40(29-35)61(79)88-25-22-73)49(48)51-42-30-43(55(59(76)77)54(42)58(74)75)52(51)53-45-31-44(50(53)47-33(2)60(78)89-65(47)83)56(63(81)86-23-18-36-16-12-14-20-71(36)66(84)91-69(6,7)8)57(45)64(82)87-24-19-37-17-13-15-21-72(37)67(85)92-70(9,10)11;1-33-35-26-41(45(27-35)61(77)87-67(3,4)5)48(33)50-37-29-42(44(31-37)60(76)85-25-22-72)52(50)51-36-28-40(43(30-36)58(73)74)53(51)55-47-32-46(54(55)49-34(2)59(75)86-64(49)80)56(62(78)83-23-18-38-16-12-14-20-70(38)65(81)88-68(6,7)8)57(47)63(79)84-24-19-39-17-13-15-21-71(39)66(82)89-69(9,10)11;1-27-29-20-34(38(21-29)54(68)76-59(3,4)5)41(27)43-31-23-35(37(25-31)53(67)74-19-17-63)45(43)44-30-22-33(36(24-30)51(64)65)46(44)48-40-26-39(47(48)42-28(2)52(66)75-56(42)70)49(50(40)57(71)77-60(6,7)8)55(69)73-18-15-32-14-12-13-16-62(32)58(72)78-61(9,10)11;1-24-26-17-31(35(18-26)52(66)73-56(3,4)5)38(24)40-28-20-32(34(22-28)51(65)71-16-14-59)42(40)41-27-19-30(33(21-27)48(60)61)43(41)45-36-23-37(44(45)39-25(2)50(64)72-54(39)68)47(46(36)49(62)63)53(67)70-15-12-29-11-9-10-13-58(29)55(69)74-57(6,7)8;1-25-27-17-33(39(18-27)52(64)70-55(3,4)5)40(25)42-29-20-35(38(23-29)51(63)68-16-14-58)47(42)44-28-19-32(36(22-28)48(59)60)46(44)43-30-21-34(45(43)41-26(2)49(61)69-53(41)65)37(24-30)50(62)67-15-12-31-11-9-10-13-57(31)54(66)71-56(6,7)8;1-3-2/h32-57,73H,12-31H2,1-11H3,(H,74,75)(H,76,77);33-57,72H,12-32H2,1-11H3,(H,73,74);27-50,63H,12-26H2,1-11H3,(H,64,65);24-47,59H,9-23H2,1-8H3,(H,60,61)(H,62,63);25-47,58H,9-24H2,1-8H3,(H,59,60);3H2,1-2H3
InChIKeyOCMWHQOVZCJOQC-UHFFFAOYSA-N
XLogP42.40
TPSA1259.28 Ų
H-Bond Donors12
H-Bond Acceptors77
Rotatable Bonds76
Heavy Atoms407
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005704.15
LogP ≤ 542.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1077

Analyze 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane with MolForge

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Related Compounds

6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;methane
CID 161221315
5-[4-[6-(2-hydroxyethoxycarbonyl)-3-[4-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-3-methoxycarbonyl-6-(4-methyl-2,5-dioxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 21354955
5-[[6-(2-hydroxyethoxycarbonyl)-3-[[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-6-[[3-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 59917824
5-[6-(3-hydroxypropoxycarbonyl)-3-[3-methyl-5,6-bis(oxolan-2-yloxycarbonyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-(4-methyl-2,5-dioxooxolan-3-yl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 21335854
5-[4-[6-(2-hydroxyethoxycarbonyl)-3-[4-[3-methyl-6-(oxan-2-yloxycarbonyl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-3-methoxycarbonyl-6-(4-methyl-2,5-dioxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxylic acid;methane
CID 160684540
3-[2-ethyl-2-(hydroxymethyl)butoxy]carbonyl-5-methyl-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.2]octanyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 22084489
5-[3-[3-[3-[5-carboxy-3-[5-(2-hydroxyethoxycarbonyl)-3-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-methylpropanoyl]oxybutoxy]-2-methyl-3-oxopropyl]-6-[5-(2-hydroxyethoxycarbonyl)-3-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;methane
CID 159573094
6-[[6-carboxy-3-[[6-(2-hydroxyethoxycarbonyl)-3-[[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2-hydroxy-3-morpholin-4-ylpropoxy)carbonyl-5-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 22955744
5-[3-[4-[6-(1-ethoxyethoxycarbonyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6-(2-hydroxyethoxycarbonyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxycarbonyl-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 18719536
6-[4-[3-[4-[5-(1-hydroperoxy-3-hydroxypropyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-5-(4-methyl-2,5-dioxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 20764971
6-[[5,6-bis[(2-hydroxy-3-morpholin-4-ylpropoxy)carbonyl]-3-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-5-[[6-(2-hydroxyethoxycarbonyl)-3-[[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 22955743
5-[[6-(2-hydroxyethoxycarbonyl)-3-[[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-6-[[3-[(2-methyl-3,5-dioxocyclopentyl)methyl]-5,6-bis(2-piperidin-1-ylethoxycarbonyl)-2-bicyclo[2.2.1]heptanyl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 22955729

Frequently Asked Questions

What is the IUPAC name of 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane?
The IUPAC name of 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane (CID 159954237) is 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane.
What is the SMILES notation for 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane?
The canonical SMILES for 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane is CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)O)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(C(C(=O)O)C2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(C(C(=O)OCCC3CCCCN3C(=O)OC(C)(C)C)C2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CC1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)C1C1C2CC(CC2C(=O)O)C1C1C2CC(CC2C(=O)OCCO)C1C1C(C)C2CC(C(=O)OC(C)(C)C)C1C2.CCC.
What is the InChIKey of 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane?
The InChIKey is OCMWHQOVZCJOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H102N2O20.C69H102N2O18.C61H89NO16.C57H81NO16.C56H81NO14.C3H8/c1-32-34-26-38(41(27-34)62(80)90-68(3,4)5)46(32)48-35-28-39(40(29-35)61(79)88-25-22-73)49(48)51-42-30-43(55(59(76)77)54(42)58(74)75)52(51)53-45-31-44(50(53)47-33(2)60(78)89-65(47)83)56(63(81)86-23-18-36-16-12-14-20-71(36)66(84)91-69(6,7)8)57(45)64(82)87-24-19-37-17-13-15-21-72(37)67(85)92-70(9,10)11;1-33-35-26-41(45(27-35)61(77)87-67(3,4)5)48(33)50-37-29-42(44(31-37)60(76)85-25-22-72)52(50)51-36-28-40(43(30-36)58(73)74)53(51)55-47-32-46(54(55)49-34(2)59(75)86-64(49)80)56(62(78)83-23-18-38-16-12-14-20-70(38)65(81)88-68(6,7)8)57(47)63(79)84-24-19-39-17-13-15-21-71(39)66(82)89-69(9,10)11;1-27-29-20-34(38(21-29)54(68)76-59(3,4)5)41(27)43-31-23-35(37(25-31)53(67)74-19-17-63)45(43)44-30-22-33(36(24-30)51(64)65)46(44)48-40-26-39(47(48)42-28(2)52(66)75-56(42)70)49(50(40)57(71)77-60(6,7)8)55(69)73-18-15-32-14-12-13-16-62(32)58(72)78-61(9,10)11;1-24-26-17-31(35(18-26)52(66)73-56(3,4)5)38(24)40-28-20-32(34(22-28)51(65)71-16-14-59)42(40)41-27-19-30(33(21-27)48(60)61)43(41)45-36-23-37(44(45)39-25(2)50(64)72-54(39)68)47(46(36)49(62)63)53(67)70-15-12-29-11-9-10-13-58(29)55(69)74-57(6,7)8;1-25-27-17-33(39(18-27)52(64)70-55(3,4)5)40(25)42-29-20-35(38(23-29)51(63)68-16-14-58)47(42)44-28-19-32(36(22-28)48(59)60)46(44)43-30-21-34(45(43)41-26(2)49(61)69-53(41)65)37(24-30)50(62)67-15-12-31-11-9-10-13-57(31)54(66)71-56(6,7)8;1-3-2/h32-57,73H,12-31H2,1-11H3,(H,74,75)(H,76,77);33-57,72H,12-32H2,1-11H3,(H,73,74);27-50,63H,12-26H2,1-11H3,(H,64,65);24-47,59H,9-23H2,1-8H3,(H,60,61)(H,62,63);25-47,58H,9-24H2,1-8H3,(H,59,60);3H2,1-2H3.
What are the key properties of 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane?
6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane has a molecular weight of 5704.15 g/mol, XLogP of 42.40, 76 rotatable bonds, 12 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-carboxy-3-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-5-(4-methyl-2,5-dioxooxolan-3-yl)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5,6-bis[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;5-[6-(2-hydroxyethoxycarbonyl)-3-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxycarbonyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylic acid;propane is sourced from PubChem (CID 159954237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).