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;[(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;methane;2,2,2-trifluoroacetic acid

C146H197F3N12O37 — CID 157137819

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;[(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;methane;2,2,2-trifluoroacetic acid
SMILESC.C.C.C.C.C.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)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)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/C54H65N5O14.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.6CH4/c1-6-54(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;1-6-34(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;;;;;;/h12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);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);6*1H4/t38?,39?,40-;25?,26-;23?,24-;;;;;;;;/m111......../s1
InChIKeyRDJMJOQYTKWZPQ-QWDJAZDYSA-N
MW2769.22 g/mol
LogP20.76
Rot. Bonds60

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;[(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;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;[(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;methane;2,2,2-trifluoroacetic acid (PubChem CID 157137819) has the molecular formula C146H197F3N12O37 and a molecular weight of 2769.22 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;[(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;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;[(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;methane;2,2,2-trifluoroacetic acid
PubChem CID157137819
Molecular FormulaC146H197F3N12O37
Molecular Weight2769.22 g/mol
Exact Mass2767.39
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;[(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;methane;2,2,2-trifluoroacetic acid
SMILESC.C.C.C.C.C.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)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)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/C54H65N5O14.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.6CH4/c1-6-54(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;1-6-34(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;;;;;;/h12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);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);6*1H4/t38?,39?,40-;25?,26-;23?,24-;;;;;;;;/m111......../s1
InChIKeyRDJMJOQYTKWZPQ-QWDJAZDYSA-N
XLogP20.76
TPSA680.06 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds60
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.22
LogP ≤ 520.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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;[(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;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
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-[4-[2-[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]butoxy]ethoxy]ethylamino]phenyl]methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 156039674
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;[(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;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;[(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;methane;2,2,2-trifluoroacetic acid (CID 157137819) 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;[(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;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;[(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;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;[(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;methane;2,2,2-trifluoroacetic acid is C.C.C.C.C.C.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)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)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;[(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;methane;2,2,2-trifluoroacetic acid?
The InChIKey is RDJMJOQYTKWZPQ-QWDJAZDYSA-N. The full InChI is InChI=1S/C54H65N5O14.C34H44N2O9.C30H40N2O6.C20H23N3O6.C2HF3O2.6CH4/c1-6-54(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;1-6-34(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;;;;;;/h12-15,17,19,21,24,30-31,38-40H,6-11,16,18,20,22-23,25-29,32H2,1-5H3,(H,55,61)(H,56,62)(H,57,63,65);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);6*1H4/t38?,39?,40-;25?,26-;23?,24-;;;;;;;;/m111......../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;[(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;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;[(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;methane;2,2,2-trifluoroacetic acid has a molecular weight of 2769.22 g/mol, XLogP of 20.76, 60 rotatable bonds, 9 hydrogen bond donors, and 37 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;[(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;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157137819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).