[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione

C216H308N24O40P4 — CID 158802631

IUPAC[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione
SMILESCC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C
InChIInChI=1S/2C29H43N4O5P.2C29H45N4O4P.2C25H32N2O6.2C25H34N2O5/c2*1-7-23-16-17-27(38-39(37-20-18-30-6)33(21(2)3)22(4)5)32(23)26(34)15-9-8-12-19-31-28(35)24-13-10-11-14-25(24)29(31)36;2*1-7-24-16-17-27(37-38(36-21-18-30-6)33(22(2)3)23(4)5)31(24)19-12-8-9-13-20-32-28(34)25-14-10-11-15-26(25)29(32)35;2*1-3-18-13-14-22(33-23(30)15-12-17(2)28)27(18)21(29)11-5-4-8-16-26-24(31)19-9-6-7-10-20(19)25(26)32;2*1-3-19-13-14-22(32-23(29)15-12-18(2)28)26(19)16-8-4-5-9-17-27-24(30)20-10-6-7-11-21(20)25(27)31/h2*10-11,13-14,21-23,27H,7-9,12,15-20H2,1-5H3;2*10-11,14-15,22-24,27H,7-9,12-13,16-21H2,1-5H3;2*6-7,9-10,18,22H,3-5,8,11-16H2,1-2H3;2*6-7,10-11,19,22H,3-5,8-9,12-17H2,1-2H3/t23-,27+,39?;23-,27-,39?;24-,27+,38?;24-,27-,38?;18-,22+;18-,22-;19-,22+;19-,22-/m11111111/s1
InChIKeyITRIWTZJVAOZKP-XIKRQDCYSA-N
MW4004.86 g/mol
LogP39.30
Rot. Bonds108

About [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione

[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione (PubChem CID 158802631) has the molecular formula C216H308N24O40P4 and a molecular weight of 4004.86 g/mol. Its IUPAC name is [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione
PubChem CID158802631
Molecular FormulaC216H308N24O40P4
Molecular Weight4004.86 g/mol
Exact Mass4002.18
IUPAC Name[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione
SMILESCC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C
InChIInChI=1S/2C29H43N4O5P.2C29H45N4O4P.2C25H32N2O6.2C25H34N2O5/c2*1-7-23-16-17-27(38-39(37-20-18-30-6)33(21(2)3)22(4)5)32(23)26(34)15-9-8-12-19-31-28(35)24-13-10-11-14-25(24)29(31)36;2*1-7-24-16-17-27(37-38(36-21-18-30-6)33(22(2)3)23(4)5)31(24)19-12-8-9-13-20-32-28(34)25-14-10-11-15-26(25)29(32)35;2*1-3-18-13-14-22(33-23(30)15-12-17(2)28)27(18)21(29)11-5-4-8-16-26-24(31)19-9-6-7-10-20(19)25(26)32;2*1-3-19-13-14-22(32-23(29)15-12-18(2)28)26(19)16-8-4-5-9-17-27-24(30)20-10-6-7-11-21(20)25(27)31/h2*10-11,13-14,21-23,27H,7-9,12,15-20H2,1-5H3;2*10-11,14-15,22-24,27H,7-9,12-13,16-21H2,1-5H3;2*6-7,9-10,18,22H,3-5,8,11-16H2,1-2H3;2*6-7,10-11,19,22H,3-5,8-9,12-17H2,1-2H3/t23-,27+,39?;23-,27-,39?;24-,27+,38?;24-,27-,38?;18-,22+;18-,22-;19-,22+;19-,22-/m11111111/s1
InChIKeyITRIWTZJVAOZKP-XIKRQDCYSA-N
XLogP39.30
TPSA670.96 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds108
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004004.86
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione with MolForge

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Related Compounds

CID 160623720
CID 160623720
3-[[1-[6-(1,3-dioxoisoindol-2-yl)hexyl]piperidin-4-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;propoxy hypoiodite
CID 143414388
[1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-4-ethylpyrrolidin-3-yl] 4-(methylamino)-4-oxobutanoate
CID 59347249
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317601
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
3-[[(3R,5R)-1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;2-[2-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 159875678
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
methyl (2S)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-hydroxypyrrolidine-2-carboxylate
CID 146254122
[(3S,5R)-1-[6-(1,3-dioxoinden-2-yl)hexyl]-5-ethylpyrrolidin-3-yl] 4-oxopentanoate
CID 58611814
4-[(2R,4S,5R)-4-[6-[5-[(2R,3R,4R,5R,6R)-4,5-dibenzoyloxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]hexoxy]-5-[4-(dimethylaminomethylideneamino)-2-oxopyrimidin-1-yl]-2-ethyloxolan-3-yl]oxy-4-oxobutanoic acid;[(2R,3R,4R,5R,6R)-3,4-dibenzoyloxy-6-[5-[6-[(2R,3S,5R)-2-[4-(dimethylaminomethylideneamino)-2-oxopyrimidin-1-yl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethyloxolan-3-yl]oxyhexylamino]-5-oxopentoxy]-5-methyloxan-2-yl]methyl benzoate;[(2R,3R,4R,5R,6R)-3,4-dibenzoyloxy-6-[5-[6-[(2R,3S,5R)-2-[4-(dimethylaminomethylideneamino)-2-oxopyrimidin-1-yl]-5-ethyl-4-hydroxyoxolan-3-yl]oxyhexylamino]-5-oxopentoxy]-5-methyloxan-2-yl]methyl benzoate;[(2R,3R,4R,5R,6R)-3,4-dibenzoyloxy-6-[5-[6-[(2R,3S,5R)-2-[4-(dimethylaminomethylideneamino)-2-oxopyrimidin-1-yl]-5-ethyl-4-(4-oxopentanoyloxy)oxolan-3-yl]oxyhexylamino]-5-oxopentoxy]-5-methyloxan-2-yl]methyl benzoate;ethane;oxolane-2,5-dione
CID 159204657
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione?
The IUPAC name of [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione (CID 158802631) is [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione.
What is the SMILES notation for [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione?
The canonical SMILES for [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione is CC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O.CC[C@@H]1CC[C@H](OC(=O)CCC(C)=O)N1CCCCCCN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1C(=O)CCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.[C-]#[N+]CCOP(O[C@H]1CC[C@@H](CC)N1CCCCCCN1C(=O)c2ccccc2C1=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione?
The InChIKey is ITRIWTZJVAOZKP-XIKRQDCYSA-N. The full InChI is InChI=1S/2C29H43N4O5P.2C29H45N4O4P.2C25H32N2O6.2C25H34N2O5/c2*1-7-23-16-17-27(38-39(37-20-18-30-6)33(21(2)3)22(4)5)32(23)26(34)15-9-8-12-19-31-28(35)24-13-10-11-14-25(24)29(31)36;2*1-7-24-16-17-27(37-38(36-21-18-30-6)33(22(2)3)23(4)5)31(24)19-12-8-9-13-20-32-28(34)25-14-10-11-15-26(25)29(32)35;2*1-3-18-13-14-22(33-23(30)15-12-17(2)28)27(18)21(29)11-5-4-8-16-26-24(31)19-9-6-7-10-20(19)25(26)32;2*1-3-19-13-14-22(32-23(29)15-12-18(2)28)26(19)16-8-4-5-9-17-27-24(30)20-10-6-7-11-21(20)25(27)31/h2*10-11,13-14,21-23,27H,7-9,12,15-20H2,1-5H3;2*10-11,14-15,22-24,27H,7-9,12-13,16-21H2,1-5H3;2*6-7,9-10,18,22H,3-5,8,11-16H2,1-2H3;2*6-7,10-11,19,22H,3-5,8-9,12-17H2,1-2H3/t23-,27+,39?;23-,27-,39?;24-,27+,38?;24-,27-,38?;18-,22+;18-,22-;19-,22+;19-,22-/m11111111/s1.
What are the key properties of [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione?
[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione has a molecular weight of 4004.86 g/mol, XLogP of 39.30, 108 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2R,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;[(2S,5R)-1-[6-(1,3-dioxoisoindol-2-yl)hexyl]-5-ethylpyrrolidin-2-yl] 4-oxopentanoate;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]hexyl]isoindole-1,3-dione;2-[6-[(2R,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione;2-[6-[(2S,5R)-2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethylpyrrolidin-1-yl]-6-oxohexyl]isoindole-1,3-dione is sourced from PubChem (CID 158802631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).