[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate

C235H283N17O44 — CID 158385687

IUPAC[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(C)c5)OC(=O)[C@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(OC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCCCCNC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(C)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C63H78N4O13.C62H77N5O11.2C55H64N4O10/c1-8-48(45-35-40(2)42(4)55(37-45)76-6)60(71)66-34-17-15-21-51(66)63(74)80-52(31-24-43-25-32-53(75-5)56(36-43)77-7)44-26-28-47(29-27-44)78-39-57(69)64-33-16-13-11-9-10-12-14-19-46(68)38-79-54-22-18-20-49-58(54)62(73)67(61(49)72)50-30-23-41(3)65-59(50)70;1-8-46(45-35-39(2)43(6)40(3)36-45)59(71)66-33-18-15-22-50(66)62(74)78-53(30-27-44-26-29-51(75-7)41(4)34-44)47-20-13-14-23-52(47)76-37-55(68)63-31-16-11-9-10-12-17-32-64-56(69)38-77-54-24-19-21-48-57(54)61(73)67(60(48)72)49-28-25-42(5)65-58(49)70;1-8-42(39-30-33(2)36(5)49(31-39)67-7)52(62)58-28-10-9-16-46(58)55(65)69-48(26-19-37-18-25-47(66-6)34(3)29-37)38-20-22-41(23-21-38)68-32-40(60)13-12-27-56-44-15-11-14-43-50(44)54(64)59(53(43)63)45-24-17-35(4)57-51(45)61;1-8-40(38-30-33(2)36(5)49(31-38)67-7)52(62)58-28-12-11-19-45(58)55(65)69-48(26-23-37-22-25-46(66-6)34(3)29-37)41-16-9-10-20-47(41)68-32-39(60)15-14-27-56-43-18-13-17-42-50(43)54(64)59(53(42)63)44-24-21-35(4)57-51(44)61/h18,20,22,25-29,32,35-37,48,50-52H,3,8-17,19,21,23-24,30-31,33-34,38-39H2,1-2,4-7H3,(H,64,69)(H,65,70);13-14,19-21,23-24,26,29,34-36,46,49-50,53H,5,8-12,15-18,22,25,27-28,30-33,37-38H2,1-4,6-7H3,(H,63,68)(H,64,69)(H,65,70);11,14-15,18,20-23,25,29-31,42,45-46,48,56H,4,8-10,12-13,16-17,19,24,26-28,32H2,1-3,5-7H3,(H,57,61);9-10,13,16-18,20,22,25,29-31,40,44-45,48,56H,4,8,11-12,14-15,19,21,23-24,26-28,32H2,1-3,5-7H3,(H,57,61)/t48-,50?,51-,52+;46-,49?,50-,53+;42-,45?,46+,48+;40-,44?,45+,48+/m0000/s1
InChIKeyGWINQSPOZIMSDN-GSNZAHPJSA-N
MW4049.92 g/mol
LogP36.21
Rot. Bonds95

About [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate

[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate (PubChem CID 158385687) has the molecular formula C235H283N17O44 and a molecular weight of 4049.92 g/mol. Its IUPAC name is [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate
PubChem CID158385687
Molecular FormulaC235H283N17O44
Molecular Weight4049.92 g/mol
Exact Mass4047.04
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(C)c5)OC(=O)[C@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(OC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCCCCNC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(C)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C63H78N4O13.C62H77N5O11.2C55H64N4O10/c1-8-48(45-35-40(2)42(4)55(37-45)76-6)60(71)66-34-17-15-21-51(66)63(74)80-52(31-24-43-25-32-53(75-5)56(36-43)77-7)44-26-28-47(29-27-44)78-39-57(69)64-33-16-13-11-9-10-12-14-19-46(68)38-79-54-22-18-20-49-58(54)62(73)67(61(49)72)50-30-23-41(3)65-59(50)70;1-8-46(45-35-39(2)43(6)40(3)36-45)59(71)66-33-18-15-22-50(66)62(74)78-53(30-27-44-26-29-51(75-7)41(4)34-44)47-20-13-14-23-52(47)76-37-55(68)63-31-16-11-9-10-12-17-32-64-56(69)38-77-54-24-19-21-48-57(54)61(73)67(60(48)72)49-28-25-42(5)65-58(49)70;1-8-42(39-30-33(2)36(5)49(31-39)67-7)52(62)58-28-10-9-16-46(58)55(65)69-48(26-19-37-18-25-47(66-6)34(3)29-37)38-20-22-41(23-21-38)68-32-40(60)13-12-27-56-44-15-11-14-43-50(44)54(64)59(53(43)63)45-24-17-35(4)57-51(45)61;1-8-40(38-30-33(2)36(5)49(31-38)67-7)52(62)58-28-12-11-19-45(58)55(65)69-48(26-23-37-22-25-46(66-6)34(3)29-37)41-16-9-10-20-47(41)68-32-39(60)15-14-27-56-43-18-13-17-42-50(43)54(64)59(53(42)63)44-24-21-35(4)57-51(44)61/h18,20,22,25-29,32,35-37,48,50-52H,3,8-17,19,21,23-24,30-31,33-34,38-39H2,1-2,4-7H3,(H,64,69)(H,65,70);13-14,19-21,23-24,26,29,34-36,46,49-50,53H,5,8-12,15-18,22,25,27-28,30-33,37-38H2,1-4,6-7H3,(H,63,68)(H,64,69)(H,65,70);11,14-15,18,20-23,25,29-31,42,45-46,48,56H,4,8-10,12-13,16-17,19,24,26-28,32H2,1-3,5-7H3,(H,57,61);9-10,13,16-18,20,22,25,29-31,40,44-45,48,56H,4,8,11-12,14-15,19,21,23-24,26-28,32H2,1-3,5-7H3,(H,57,61)/t48-,50?,51-,52+;46-,49?,50-,53+;42-,45?,46+,48+;40-,44?,45+,48+/m0000/s1
InChIKeyGWINQSPOZIMSDN-GSNZAHPJSA-N
XLogP36.21
TPSA744.15 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds95
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004049.92
LogP ≤ 536.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Analyze [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate?
The IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate (CID 158385687) is [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate.
What is the SMILES notation for [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate?
The canonical SMILES for [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate is C=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(C)c5)OC(=O)[C@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(OC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCCCCCCNC(=O)COc4ccc([C@@H](CCc5ccc(OC)c(OC)c5)OC(=O)[C@@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(C)c(OC)c5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)COc4ccccc4[C@@H](CCc4ccc(OC)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(C)c(C)c4)c3C2=O)C(=O)N1.
What is the InChIKey of [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate?
The InChIKey is GWINQSPOZIMSDN-GSNZAHPJSA-N. The full InChI is InChI=1S/C63H78N4O13.C62H77N5O11.2C55H64N4O10/c1-8-48(45-35-40(2)42(4)55(37-45)76-6)60(71)66-34-17-15-21-51(66)63(74)80-52(31-24-43-25-32-53(75-5)56(36-43)77-7)44-26-28-47(29-27-44)78-39-57(69)64-33-16-13-11-9-10-12-14-19-46(68)38-79-54-22-18-20-49-58(54)62(73)67(61(49)72)50-30-23-41(3)65-59(50)70;1-8-46(45-35-39(2)43(6)40(3)36-45)59(71)66-33-18-15-22-50(66)62(74)78-53(30-27-44-26-29-51(75-7)41(4)34-44)47-20-13-14-23-52(47)76-37-55(68)63-31-16-11-9-10-12-17-32-64-56(69)38-77-54-24-19-21-48-57(54)61(73)67(60(48)72)49-28-25-42(5)65-58(49)70;1-8-42(39-30-33(2)36(5)49(31-39)67-7)52(62)58-28-10-9-16-46(58)55(65)69-48(26-19-37-18-25-47(66-6)34(3)29-37)38-20-22-41(23-21-38)68-32-40(60)13-12-27-56-44-15-11-14-43-50(44)54(64)59(53(43)63)45-24-17-35(4)57-51(45)61;1-8-40(38-30-33(2)36(5)49(31-38)67-7)52(62)58-28-12-11-19-45(58)55(65)69-48(26-23-37-22-25-46(66-6)34(3)29-37)41-16-9-10-20-47(41)68-32-39(60)15-14-27-56-43-18-13-17-42-50(43)54(64)59(53(42)63)44-24-21-35(4)57-51(44)61/h18,20,22,25-29,32,35-37,48,50-52H,3,8-17,19,21,23-24,30-31,33-34,38-39H2,1-2,4-7H3,(H,64,69)(H,65,70);13-14,19-21,23-24,26,29,34-36,46,49-50,53H,5,8-12,15-18,22,25,27-28,30-33,37-38H2,1-4,6-7H3,(H,63,68)(H,64,69)(H,65,70);11,14-15,18,20-23,25,29-31,42,45-46,48,56H,4,8-10,12-13,16-17,19,24,26-28,32H2,1-3,5-7H3,(H,57,61);9-10,13,16-18,20,22,25,29-31,40,44-45,48,56H,4,8,11-12,14-15,19,21,23-24,26-28,32H2,1-3,5-7H3,(H,57,61)/t48-,50?,51-,52+;46-,49?,50-,53+;42-,45?,46+,48+;40-,44?,45+,48+/m0000/s1.
What are the key properties of [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate?
[(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate has a molecular weight of 4049.92 g/mol, XLogP of 36.21, 95 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-(3,4-dimethoxyphenyl)-1-[4-[2-[[11-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[4-[5-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopentoxy]phenyl]propyl] (2R)-1-[(2S)-2-(3-methoxy-4,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate;[(1R)-3-(4-methoxy-3-methylphenyl)-1-[2-[2-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethylphenyl)butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 158385687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).