4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid

C143H181F3N12O35 — CID 161158025

IUPAC4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid
SMILESC.C=C(C[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCCCN1C(=O)C(=O)C(C)(C)CC.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)O)c1.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C56H69N5O12.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.CH4/c1-7-56(3,4)51(66)55(70)60-30-12-10-19-42(60)35(2)31-38(23-21-36-22-25-44(71-5)46(32-36)72-6)37-15-13-16-39(33-37)58-48(64)28-27-47(63)57-29-11-8-9-17-40(62)34-73-45-20-14-18-41-50(45)54(69)61(53(41)68)43-24-26-49(65)59-52(43)67;1-6-34(2,3)31(40)32(41)36-19-8-7-12-25(36)33(42)45-26(15-13-22-14-16-27(43-4)28(20-22)44-5)23-10-9-11-24(21-23)35-29(37)17-18-30(38)39;1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;3-2(4,5)1(6)7;/h13-16,18,20,22,25,32-33,38,42-43H,2,7-12,17,19,21,23-24,26-31,34H2,1,3-6H3,(H,57,63)(H,58,64)(H,59,65,67);9-11,14,16,20-21,25-26H,6-8,12-13,15,17-19H2,1-5H3,(H,35,37)(H,38,39);9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3;4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);(H,6,7);1H4/t38-,42?,43?;25?,26-;23?,24-;;;/m011.../s1
InChIKeyTUKJGNYGJZJIQP-JMZUAZLHSA-N
MW2685.06 g/mol
LogP19.02
Rot. Bonds61

About 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid

4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid (PubChem CID 161158025) has the molecular formula C143H181F3N12O35 and a molecular weight of 2685.06 g/mol. Its IUPAC name is 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid
PubChem CID161158025
Molecular FormulaC143H181F3N12O35
Molecular Weight2685.06 g/mol
Exact Mass2683.27
IUPAC Name4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid
SMILESC.C=C(C[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCCCN1C(=O)C(=O)C(C)(C)CC.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)O)c1.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C56H69N5O12.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.CH4/c1-7-56(3,4)51(66)55(70)60-30-12-10-19-42(60)35(2)31-38(23-21-36-22-25-44(71-5)46(32-36)72-6)37-15-13-16-39(33-37)58-48(64)28-27-47(63)57-29-11-8-9-17-40(62)34-73-45-20-14-18-41-50(45)54(69)61(53(41)68)43-24-26-49(65)59-52(43)67;1-6-34(2,3)31(40)32(41)36-19-8-7-12-25(36)33(42)45-26(15-13-22-14-16-27(43-4)28(20-22)44-5)23-10-9-11-24(21-23)35-29(37)17-18-30(38)39;1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;3-2(4,5)1(6)7;/h13-16,18,20,22,25,32-33,38,42-43H,2,7-12,17,19,21,23-24,26-31,34H2,1,3-6H3,(H,57,63)(H,58,64)(H,59,65,67);9-11,14,16,20-21,25-26H,6-8,12-13,15,17-19H2,1-5H3,(H,35,37)(H,38,39);9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3;4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);(H,6,7);1H4/t38-,42?,43?;25?,26-;23?,24-;;;/m011.../s1
InChIKeyTUKJGNYGJZJIQP-JMZUAZLHSA-N
XLogP19.02
TPSA653.76 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds61
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002685.06
LogP ≤ 519.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]amino]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 124190345
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethylamino]-4-oxobutanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 145964504
(1R)-3-(3,4-Dimethoxyphenyl)-1-(3-((4-((4-((2-((2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)oxy)acetyl)amino)butyl)amino)-1,4-dioxobutyl)amino)phenyl)propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate
CID 121427836
N-[8-[2-(5,5-difluoro-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]-2-[3-[(3S)-5-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-1-oxopentan-3-yl]phenoxy]acetamide
CID 146587254
4-[1-[[4-[4-[2-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethylamino]phenyl]-2-fluorophenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039643
4-[1-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phenyl]-2-fluorophenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039644
4-[1-[[4-[4-[2-[2-[2-[2-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phenyl]-2-fluorophenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039646
4-[1-[[4-[4-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethylamino]phenyl]-2-fluorophenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039649
4-[1-[[4-[4-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]butylamino]phenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039661
4-[1-[[4-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethylamino]phenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039675
4-[1-[[4-[2-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethylamino]phenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039676
4-[1-[[4-[4-[2-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethylamino]phenyl]phenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039686

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid (CID 161158025) is 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid is C.C=C(C[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCCCN1C(=O)C(=O)C(C)(C)CC.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)O)c1.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid?
The InChIKey is TUKJGNYGJZJIQP-JMZUAZLHSA-N. The full InChI is InChI=1S/C56H69N5O12.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.CH4/c1-7-56(3,4)51(66)55(70)60-30-12-10-19-42(60)35(2)31-38(23-21-36-22-25-44(71-5)46(32-36)72-6)37-15-13-16-39(33-37)58-48(64)28-27-47(63)57-29-11-8-9-17-40(62)34-73-45-20-14-18-41-50(45)54(69)61(53(41)68)43-24-26-49(65)59-52(43)67;1-6-34(2,3)31(40)32(41)36-19-8-7-12-25(36)33(42)45-26(15-13-22-14-16-27(43-4)28(20-22)44-5)23-10-9-11-24(21-23)35-29(37)17-18-30(38)39;1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;3-2(4,5)1(6)7;/h13-16,18,20,22,25,32-33,38,42-43H,2,7-12,17,19,21,23-24,26-31,34H2,1,3-6H3,(H,57,63)(H,58,64)(H,59,65,67);9-11,14,16,20-21,25-26H,6-8,12-13,15,17-19H2,1-5H3,(H,35,37)(H,38,39);9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3;4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);(H,6,7);1H4/t38-,42?,43?;25?,26-;23?,24-;;;/m011.../s1.
What are the key properties of 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid?
4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid has a molecular weight of 2685.06 g/mol, XLogP of 19.02, 61 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]anilino]-4-oxobutanoic acid;N'-[3-[(3S)-1-(3,4-dimethoxyphenyl)-5-[1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]hex-5-en-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161158025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).