tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate

C144H272N8O115P24S7 — CID 158992863

IUPACtert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate
SMILESCC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCS.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSSCO.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.Cc1ccc(OC(=O)CCCCCN2C(=O)CC(SCCCCCCOP(=O)(O)OCCOP(=O)(O)OC(C)(C)C)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C40H81N2O48P11S.C29H46N2O14P2S.C28H51N2O24P5S.C22H36N2O12P2S.C13H30O9P2S2.C12H28O8P2S/c1-40(2,3)90-101(67,68)89-32-31-88-100(65,66)87-30-29-86-99(63,64)85-28-27-84-98(61,62)83-26-25-82-97(59,60)81-24-23-80-96(57,58)79-22-21-78-95(55,56)77-20-19-76-94(53,54)75-18-17-74-93(51,52)73-16-15-72-92(49,50)71-14-13-70-91(47,48)69-12-6-4-5-7-33-102-35-34-38(45)42(39(35)46)11-10-41-36(43)8-9-37(41)44;1-22-13-14-24(23(20-22)31(35)36)44-27(33)12-8-7-9-15-30-26(32)21-25(28(30)34)48-19-11-6-5-10-16-41-46(37,38)42-17-18-43-47(39,40)45-29(2,3)4;1-28(2,3)54-59(43,44)53-20-19-52-58(41,42)51-18-17-50-57(39,40)49-16-15-48-56(37,38)47-14-13-46-55(35,36)45-12-6-4-5-7-21-60-23-22-26(33)30(27(23)34)11-10-29-24(31)8-9-25(29)32;1-22(2,3)36-38(31,32)35-14-13-34-37(29,30)33-12-6-4-5-7-15-39-17-16-20(27)24(21(17)28)11-10-23-18(25)8-9-19(23)26;1-13(2,3)22-24(17,18)21-10-9-20-23(15,16)19-8-6-4-5-7-11-25-26-12-14;1-12(2,3)20-22(15,16)19-10-9-18-21(13,14)17-8-6-4-5-7-11-23/h8-9,35H,4-7,10-34H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68);13-14,20,25H,5-12,15-19,21H2,1-4H3,(H,37,38)(H,39,40);8-9,23H,4-7,10-22H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);8-9,17H,4-7,10-16H2,1-3H3,(H,29,30)(H,31,32);14H,4-12H2,1-3H3,(H,15,16)(H,17,18);23H,4-11H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyJQJNGCOPGKALEW-UHFFFAOYSA-N
MW4923.55 g/mol
LogP22.14
Rot. Bonds166

About tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate

tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate (PubChem CID 158992863) has the molecular formula C144H272N8O115P24S7 and a molecular weight of 4923.55 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate
PubChem CID158992863
Molecular FormulaC144H272N8O115P24S7
Molecular Weight4923.55 g/mol
Exact Mass4920.74
IUPAC Nametert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate
SMILESCC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCS.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSSCO.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.Cc1ccc(OC(=O)CCCCCN2C(=O)CC(SCCCCCCOP(=O)(O)OCCOP(=O)(O)OC(C)(C)C)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C40H81N2O48P11S.C29H46N2O14P2S.C28H51N2O24P5S.C22H36N2O12P2S.C13H30O9P2S2.C12H28O8P2S/c1-40(2,3)90-101(67,68)89-32-31-88-100(65,66)87-30-29-86-99(63,64)85-28-27-84-98(61,62)83-26-25-82-97(59,60)81-24-23-80-96(57,58)79-22-21-78-95(55,56)77-20-19-76-94(53,54)75-18-17-74-93(51,52)73-16-15-72-92(49,50)71-14-13-70-91(47,48)69-12-6-4-5-7-33-102-35-34-38(45)42(39(35)46)11-10-41-36(43)8-9-37(41)44;1-22-13-14-24(23(20-22)31(35)36)44-27(33)12-8-7-9-15-30-26(32)21-25(28(30)34)48-19-11-6-5-10-16-41-46(37,38)42-17-18-43-47(39,40)45-29(2,3)4;1-28(2,3)54-59(43,44)53-20-19-52-58(41,42)51-18-17-50-57(39,40)49-16-15-48-56(37,38)47-14-13-46-55(35,36)45-12-6-4-5-7-21-60-23-22-26(33)30(27(23)34)11-10-29-24(31)8-9-25(29)32;1-22(2,3)36-38(31,32)35-14-13-34-37(29,30)33-12-6-4-5-7-15-39-17-16-20(27)24(21(17)28)11-10-23-18(25)8-9-19(23)26;1-13(2,3)22-24(17,18)21-10-9-20-23(15,16)19-8-6-4-5-7-11-25-26-12-14;1-12(2,3)20-22(15,16)19-10-9-18-21(13,14)17-8-6-4-5-7-11-23/h8-9,35H,4-7,10-34H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68);13-14,20,25H,5-12,15-19,21H2,1-4H3,(H,37,38)(H,39,40);8-9,23H,4-7,10-22H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);8-9,17H,4-7,10-16H2,1-3H3,(H,29,30)(H,31,32);14H,4-12H2,1-3H3,(H,15,16)(H,17,18);23H,4-11H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyJQJNGCOPGKALEW-UHFFFAOYSA-N
XLogP22.14
TPSA1689.57 Ų
H-Bond Donors26
H-Bond Acceptors98
Rotatable Bonds166
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004923.55
LogP ≤ 522.14
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1098

Analyze tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate with MolForge

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Related Compounds

(4-methyl-2-nitrophenyl) 6-[3-[6-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate
CID 158363817
4-[6-[3-[[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxymethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoyloxy]-3-nitrobenzenesulfonic acid
CID 160668903
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 158742273
sodium;6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide;methanamine;methanethiol;N-methyl-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;(2-nitro-4-oxidoperoxysulfanylphenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 157218602
[4-(hydroxymethyl)-2-nitrophenyl] 11-(2,5-dioxopyrrol-1-yl)undecanoate
CID 69105434
4-hexanoyloxy-3-nitrobenzoic acid
CID 14057313
(2,4-dinitrophenyl) pentanoate
CID 71404931
N-[6-[(3-methyl-4-nitrophenyl)methylamino]-6-oxohexyl]-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide
CID 143381623
5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 54965595
4-(aminomethyl)aniline;N-[(4-aminophenyl)methyl]-4-[3-(3-deuterio-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]butanamide;1-deuterio-3-sulfanylpropan-1-one;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;methane
CID 160912138
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
4-methyl-2-nitro-1-octoxybenzene
CID 11708750

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate?
The IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate (CID 158992863) is tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate is CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCS.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCCCCCSSCO.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.CC(C)(C)OP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCCCCCSC1CC(=O)N(CCN2C(=O)C=CC2=O)C1=O.Cc1ccc(OC(=O)CCCCCN2C(=O)CC(SCCCCCCOP(=O)(O)OCCOP(=O)(O)OC(C)(C)C)C2=O)c([N+](=O)[O-])c1.
What is the InChIKey of tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate?
The InChIKey is JQJNGCOPGKALEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81N2O48P11S.C29H46N2O14P2S.C28H51N2O24P5S.C22H36N2O12P2S.C13H30O9P2S2.C12H28O8P2S/c1-40(2,3)90-101(67,68)89-32-31-88-100(65,66)87-30-29-86-99(63,64)85-28-27-84-98(61,62)83-26-25-82-97(59,60)81-24-23-80-96(57,58)79-22-21-78-95(55,56)77-20-19-76-94(53,54)75-18-17-74-93(51,52)73-16-15-72-92(49,50)71-14-13-70-91(47,48)69-12-6-4-5-7-33-102-35-34-38(45)42(39(35)46)11-10-41-36(43)8-9-37(41)44;1-22-13-14-24(23(20-22)31(35)36)44-27(33)12-8-7-9-15-30-26(32)21-25(28(30)34)48-19-11-6-5-10-16-41-46(37,38)42-17-18-43-47(39,40)45-29(2,3)4;1-28(2,3)54-59(43,44)53-20-19-52-58(41,42)51-18-17-50-57(39,40)49-16-15-48-56(37,38)47-14-13-46-55(35,36)45-12-6-4-5-7-21-60-23-22-26(33)30(27(23)34)11-10-29-24(31)8-9-25(29)32;1-22(2,3)36-38(31,32)35-14-13-34-37(29,30)33-12-6-4-5-7-15-39-17-16-20(27)24(21(17)28)11-10-23-18(25)8-9-19(23)26;1-13(2,3)22-24(17,18)21-10-9-20-23(15,16)19-8-6-4-5-7-11-25-26-12-14;1-12(2,3)20-22(15,16)19-10-9-18-21(13,14)17-8-6-4-5-7-11-23/h8-9,35H,4-7,10-34H2,1-3H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68);13-14,20,25H,5-12,15-19,21H2,1-4H3,(H,37,38)(H,39,40);8-9,23H,4-7,10-22H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);8-9,17H,4-7,10-16H2,1-3H3,(H,29,30)(H,31,32);14H,4-12H2,1-3H3,(H,15,16)(H,17,18);23H,4-11H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate?
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate has a molecular weight of 4923.55 g/mol, XLogP of 22.14, 166 rotatable bonds, 26 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[2-[2-[2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[6-[1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylhexoxy-hydroxyphosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy-[6-(hydroxymethyldisulfanyl)hexoxy]phosphoryl]oxyethyl hydrogen phosphate;tert-butyl 2-[hydroxy(6-sulfanylhexoxy)phosphoryl]oxyethyl hydrogen phosphate;(4-methyl-2-nitrophenyl) 6-[3-[6-[hydroxy-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]phosphoryl]oxyhexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 158992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).