[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

C278H334N18O68 — CID 157168042

IUPAC[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)Cc5ccccc5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)Nc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C62H80N4O16.C55H61N3O12.C54H65N5O14.C54H65N3O13.C53H63N3O13/c1-7-62(3,4)56(70)60(74)65-31-11-8-21-49(65)61(75)82-50(28-24-42-25-29-51(76-5)53(38-42)77-6)43-16-14-17-44(39-43)64-54(69)30-26-45(67)18-9-12-32-78-34-36-80-37-35-79-33-13-10-19-46(68)40-81-52-22-15-20-47-55(52)59(73)66(58(47)72)48-27-23-41(2)63-57(48)71;1-36-24-27-44(52(62)56-36)58-53(63)43-21-14-23-48(51(43)54(58)64)69-35-41(60)19-10-5-4-9-18-40(59)34-68-42-20-13-17-39(33-42)46(28-25-38-26-29-47(66-2)49(31-38)67-3)70-55(65)45-22-11-12-30-57(45)50(61)32-37-15-7-6-8-16-37;1-6-54(2,3)48(64)52(68)58-29-11-9-18-39(58)53(69)73-40(23-20-33-21-24-41(70-4)43(30-33)71-5)34-14-12-15-35(31-34)56-45(62)27-26-44(61)55-28-10-7-8-16-36(60)32-72-42-19-13-17-37-47(42)51(67)59(50(37)66)38-22-25-46(63)57-49(38)65;1-7-54(3,4)48(60)52(64)56-29-13-12-21-42(56)53(65)70-43(27-24-35-25-28-44(66-5)46(30-35)67-6)36-16-14-19-39(31-36)68-32-37(58)17-10-8-9-11-18-38(59)33-69-45-22-15-20-40-47(45)51(63)57(50(40)62)41-26-23-34(2)55-49(41)61;1-7-53(3,4)47(59)51(63)55-28-14-20-41(55)52(64)69-42(26-23-34-24-27-43(65-5)45(29-34)66-6)35-15-12-18-38(30-35)67-31-36(57)16-10-8-9-11-17-37(58)32-68-44-21-13-19-39-46(44)50(62)56(49(39)61)40-25-22-33(2)54-48(40)60/h14-17,20,22,25,29,38-39,48-50H,2,7-13,18-19,21,23-24,26-28,30-37,40H2,1,3-6H3,(H,63,71)(H,64,69);6-8,13-17,20-21,23,26,29,31,33,44-46H,1,4-5,9-12,18-19,22,24-25,27-28,30,32,34-35H2,2-3H3,(H,56,62);12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);14-16,19-20,22,25,28,30-31,41-43H,2,7-13,17-18,21,23-24,26-27,29,32-33H2,1,3-6H3,(H,55,61);12-13,15,18-19,21,24,27,29-30,40-42H,2,7-11,14,16-17,20,22-23,25-26,28,31-32H2,1,3-6H3,(H,54,60)/t48?,49-,50+;44?,45-,46+;38?,39?,40-;41?,42-,43+;40?,41-,42+/m00100/s1
InChIKeyANDKDLHVDVNSOW-ICDABJBMSA-N
MW5015.79 g/mol
LogP36.52
Rot. Bonds134

About [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 157168042) has the molecular formula C278H334N18O68 and a molecular weight of 5015.79 g/mol. Its IUPAC name is [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
PubChem CID157168042
Molecular FormulaC278H334N18O68
Molecular Weight5015.79 g/mol
Exact Mass5012.32
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)Cc5ccccc5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)Nc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C62H80N4O16.C55H61N3O12.C54H65N5O14.C54H65N3O13.C53H63N3O13/c1-7-62(3,4)56(70)60(74)65-31-11-8-21-49(65)61(75)82-50(28-24-42-25-29-51(76-5)53(38-42)77-6)43-16-14-17-44(39-43)64-54(69)30-26-45(67)18-9-12-32-78-34-36-80-37-35-79-33-13-10-19-46(68)40-81-52-22-15-20-47-55(52)59(73)66(58(47)72)48-27-23-41(2)63-57(48)71;1-36-24-27-44(52(62)56-36)58-53(63)43-21-14-23-48(51(43)54(58)64)69-35-41(60)19-10-5-4-9-18-40(59)34-68-42-20-13-17-39(33-42)46(28-25-38-26-29-47(66-2)49(31-38)67-3)70-55(65)45-22-11-12-30-57(45)50(61)32-37-15-7-6-8-16-37;1-6-54(2,3)48(64)52(68)58-29-11-9-18-39(58)53(69)73-40(23-20-33-21-24-41(70-4)43(30-33)71-5)34-14-12-15-35(31-34)56-45(62)27-26-44(61)55-28-10-7-8-16-36(60)32-72-42-19-13-17-37-47(42)51(67)59(50(37)66)38-22-25-46(63)57-49(38)65;1-7-54(3,4)48(60)52(64)56-29-13-12-21-42(56)53(65)70-43(27-24-35-25-28-44(66-5)46(30-35)67-6)36-16-14-19-39(31-36)68-32-37(58)17-10-8-9-11-18-38(59)33-69-45-22-15-20-40-47(45)51(63)57(50(40)62)41-26-23-34(2)55-49(41)61;1-7-53(3,4)47(59)51(63)55-28-14-20-41(55)52(64)69-42(26-23-34-24-27-43(65-5)45(29-34)66-6)35-15-12-18-38(30-35)67-31-36(57)16-10-8-9-11-17-37(58)32-68-44-21-13-19-39-46(44)50(62)56(49(39)61)40-25-22-33(2)54-48(40)60/h14-17,20,22,25,29,38-39,48-50H,2,7-13,18-19,21,23-24,26-28,30-37,40H2,1,3-6H3,(H,63,71)(H,64,69);6-8,13-17,20-21,23,26,29,31,33,44-46H,1,4-5,9-12,18-19,22,24-25,27-28,30,32,34-35H2,2-3H3,(H,56,62);12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);14-16,19-20,22,25,28,30-31,41-43H,2,7-13,17-18,21,23-24,26-27,29,32-33H2,1,3-6H3,(H,55,61);12-13,15,18-19,21,24,27,29-30,40-42H,2,7-11,14,16-17,20,22-23,25-26,28,31-32H2,1,3-6H3,(H,54,60)/t48?,49-,50+;44?,45-,46+;38?,39?,40-;41?,42-,43+;40?,41-,42+/m00100/s1
InChIKeyANDKDLHVDVNSOW-ICDABJBMSA-N
XLogP36.52
TPSA1085.56 Ų
H-Bond Donors8
H-Bond Acceptors68
Rotatable Bonds134
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005015.79
LogP ≤ 536.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1068

Analyze [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate with MolForge

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What is the IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 157168042) is [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The canonical SMILES for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)Cc5ccccc5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCC(=O)COc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)Nc4cccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)C(=O)C(C)(C)CC)c4)c3C2=O)C(=O)N1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.
What is the InChIKey of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The InChIKey is ANDKDLHVDVNSOW-ICDABJBMSA-N. The full InChI is InChI=1S/C62H80N4O16.C55H61N3O12.C54H65N5O14.C54H65N3O13.C53H63N3O13/c1-7-62(3,4)56(70)60(74)65-31-11-8-21-49(65)61(75)82-50(28-24-42-25-29-51(76-5)53(38-42)77-6)43-16-14-17-44(39-43)64-54(69)30-26-45(67)18-9-12-32-78-34-36-80-37-35-79-33-13-10-19-46(68)40-81-52-22-15-20-47-55(52)59(73)66(58(47)72)48-27-23-41(2)63-57(48)71;1-36-24-27-44(52(62)56-36)58-53(63)43-21-14-23-48(51(43)54(58)64)69-35-41(60)19-10-5-4-9-18-40(59)34-68-42-20-13-17-39(33-42)46(28-25-38-26-29-47(66-2)49(31-38)67-3)70-55(65)45-22-11-12-30-57(45)50(61)32-37-15-7-6-8-16-37;1-6-54(2,3)48(64)52(68)58-29-11-9-18-39(58)53(69)73-40(23-20-33-21-24-41(70-4)43(30-33)71-5)34-14-12-15-35(31-34)56-45(62)27-26-44(61)55-28-10-7-8-16-36(60)32-72-42-19-13-17-37-47(42)51(67)59(50(37)66)38-22-25-46(63)57-49(38)65;1-7-54(3,4)48(60)52(64)56-29-13-12-21-42(56)53(65)70-43(27-24-35-25-28-44(66-5)46(30-35)67-6)36-16-14-19-39(31-36)68-32-37(58)17-10-8-9-11-18-38(59)33-69-45-22-15-20-40-47(45)51(63)57(50(40)62)41-26-23-34(2)55-49(41)61;1-7-53(3,4)47(59)51(63)55-28-14-20-41(55)52(64)69-42(26-23-34-24-27-43(65-5)45(29-34)66-6)35-15-12-18-38(30-35)67-31-36(57)16-10-8-9-11-17-37(58)32-68-44-21-13-19-39-46(44)50(62)56(49(39)61)40-25-22-33(2)54-48(40)60/h14-17,20,22,25,29,38-39,48-50H,2,7-13,18-19,21,23-24,26-28,30-37,40H2,1,3-6H3,(H,63,71)(H,64,69);6-8,13-17,20-21,23,26,29,31,33,44-46H,1,4-5,9-12,18-19,22,24-25,27-28,30,32,34-35H2,2-3H3,(H,56,62);12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);14-16,19-20,22,25,28,30-31,41-43H,2,7-13,17-18,21,23-24,26-27,29,32-33H2,1,3-6H3,(H,55,61);12-13,15,18-19,21,24,27,29-30,40-42H,2,7-11,14,16-17,20,22-23,25-26,28,31-32H2,1,3-6H3,(H,54,60)/t48?,49-,50+;44?,45-,46+;38?,39?,40-;41?,42-,43+;40?,41-,42+/m00100/s1.
What are the key properties of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 5015.79 g/mol, XLogP of 36.52, 134 rotatable bonds, 8 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]amino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[10-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2,9-dioxodecoxy]phenyl]propyl] (2S)-1-(2-phenylacetyl)piperidine-2-carboxylate;[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[8-[2-[2-[6-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 157168042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).