2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride

C219H357Cl3N20O63S2 — CID 160663923

IUPAC2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCOCC=O.CC(C)(C)OC(=O)CCOCCOCCOCCOCCO.CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)NCCOCCO.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)O)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C(C)C.Cl.Cl.Cl.NCCCC[C@H](N)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.NCCOCCON1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1O.[2H]CC
InChIInChI=1S/C58H96N4O12S.C54H88N4O12S.C28H42N4O9.C18H26N4O5.C15H30O7.C15H28O7.C12H14N2O4.C9H19NO4.C8H5NO3.C2H6.3ClH/c1-15-42(6)54(50(68-13)39-51(65)62-25-19-22-47(62)55(69-14)43(7)48(63)37-45(56-59-24-35-75-56)36-44-20-17-16-18-21-44)61(12)57(67)46(40(2)3)38-49(64)53(41(4)5)60(11)26-28-71-30-32-73-34-33-72-31-29-70-27-23-52(66)74-58(8,9)10;1-12-39(6)51(57(9)54(64)43(37(2)3)35-46(60)50(38(4)5)56(8)23-25-68-27-29-70-31-30-69-28-26-67-24-20-49(62)63)47(65-10)36-48(61)58-22-16-19-44(58)52(66-11)40(7)45(59)34-42(53-55-21-32-71-53)33-41-17-14-13-15-18-41;1-27(2,3)40-25(36)30-14-10-9-13-21(31-26(37)41-28(4,5)6)22(33)29-15-16-38-17-18-39-32-23(34)19-11-7-8-12-20(19)24(32)35;19-8-4-3-7-15(20)16(23)21-9-10-26-11-12-27-22-17(24)13-5-1-2-6-14(13)18(22)25;2*1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;13-5-6-17-7-8-18-14-11(15)9-3-1-2-4-10(9)12(14)16;1-9(2,3)14-8(12)10-4-6-13-7-5-11;10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-2;;;/h16-18,20-21,24,35,40-43,45-47,50,53-55H,15,19,22-23,25-34,36-39H2,1-14H3;13-15,17-18,21,32,37-40,42-44,47,50-52H,12,16,19-20,22-31,33-36H2,1-11H3,(H,62,63);7-8,11-12,21H,9-10,13-18H2,1-6H3,(H,29,33)(H,30,36)(H,31,37);1-2,5-6,15H,3-4,7-12,19-20H2,(H,21,23);16H,4-13H2,1-3H3;5H,4,6-13H2,1-3H3;1-4H,5-8,13H2;11H,4-7H2,1-3H3,(H,10,12);1-4,12H;1-2H3;3*1H/t42-,43-,45+,46-,47-,50+,53-,54-,55+;39-,40-,42+,43-,44-,47+,50-,51-,52+;21-;15-;;;;;;;;;/m0010........./s1/i;;;;;;;;;1D;;;
InChIKeyPWWUOFOBRPNTBI-SAPZLNNHSA-N
MW4449.84 g/mol
LogP23.58
Rot. Bonds141

About 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride

2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride (PubChem CID 160663923) has the molecular formula C219H357Cl3N20O63S2 and a molecular weight of 4449.84 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride
PubChem CID160663923
Molecular FormulaC219H357Cl3N20O63S2
Molecular Weight4449.84 g/mol
Exact Mass4445.39
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCOCC=O.CC(C)(C)OC(=O)CCOCCOCCOCCOCCO.CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)NCCOCCO.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)O)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C(C)C.Cl.Cl.Cl.NCCCC[C@H](N)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.NCCOCCON1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1O.[2H]CC
InChIInChI=1S/C58H96N4O12S.C54H88N4O12S.C28H42N4O9.C18H26N4O5.C15H30O7.C15H28O7.C12H14N2O4.C9H19NO4.C8H5NO3.C2H6.3ClH/c1-15-42(6)54(50(68-13)39-51(65)62-25-19-22-47(62)55(69-14)43(7)48(63)37-45(56-59-24-35-75-56)36-44-20-17-16-18-21-44)61(12)57(67)46(40(2)3)38-49(64)53(41(4)5)60(11)26-28-71-30-32-73-34-33-72-31-29-70-27-23-52(66)74-58(8,9)10;1-12-39(6)51(57(9)54(64)43(37(2)3)35-46(60)50(38(4)5)56(8)23-25-68-27-29-70-31-30-69-28-26-67-24-20-49(62)63)47(65-10)36-48(61)58-22-16-19-44(58)52(66-11)40(7)45(59)34-42(53-55-21-32-71-53)33-41-17-14-13-15-18-41;1-27(2,3)40-25(36)30-14-10-9-13-21(31-26(37)41-28(4,5)6)22(33)29-15-16-38-17-18-39-32-23(34)19-11-7-8-12-20(19)24(32)35;19-8-4-3-7-15(20)16(23)21-9-10-26-11-12-27-22-17(24)13-5-1-2-6-14(13)18(22)25;2*1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;13-5-6-17-7-8-18-14-11(15)9-3-1-2-4-10(9)12(14)16;1-9(2,3)14-8(12)10-4-6-13-7-5-11;10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-2;;;/h16-18,20-21,24,35,40-43,45-47,50,53-55H,15,19,22-23,25-34,36-39H2,1-14H3;13-15,17-18,21,32,37-40,42-44,47,50-52H,12,16,19-20,22-31,33-36H2,1-11H3,(H,62,63);7-8,11-12,21H,9-10,13-18H2,1-6H3,(H,29,33)(H,30,36)(H,31,37);1-2,5-6,15H,3-4,7-12,19-20H2,(H,21,23);16H,4-13H2,1-3H3;5H,4,6-13H2,1-3H3;1-4H,5-8,13H2;11H,4-7H2,1-3H3,(H,10,12);1-4,12H;1-2H3;3*1H/t42-,43-,45+,46-,47-,50+,53-,54-,55+;39-,40-,42+,43-,44-,47+,50-,51-,52+;21-;15-;;;;;;;;;/m0010........./s1/i;;;;;;;;;1D;;;
InChIKeyPWWUOFOBRPNTBI-SAPZLNNHSA-N
XLogP23.58
TPSA1025.72 Ų
H-Bond Donors12
H-Bond Acceptors71
Rotatable Bonds141
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004449.84
LogP ≤ 523.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1071

Analyze 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride with MolForge

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Related Compounds

2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethyl N-[(2S)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 158469560
(2S)-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]-2,6-bis[3-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanamide
CID 155196772
(2S,5S)-5-[2-[2-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethoxy]ethoxy]ethyl-methylamino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
CID 159610625
(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid;2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrochloride
CID 160527599
(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride
CID 163860685
(2S,5S)-5-[6-aminohexanoyl(methyl)amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
CID 148598224
tert-butyl N-[2-[2-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethyl]carbamate
CID 146360445
[4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)
CID 159778452
(2S,5S)-5-[ethyl(methyl)amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
CID 161055428
(2S)-2-[[(2S)-2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 129153302
[4-[[(2R,5S)-5-[3-(2-aminooxyethoxy)propanoylamino]-2-[5-(carbamoylamino)pentyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 159267338
(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-[2-[2-[2-[2-[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[2-[2-[2-[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3,5-dimethylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-benzyl-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-6-[2-[2-[2-[2-[3-[[(5S)-5-[3-[2-[2-[2-[2-[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3,5-dimethylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;hydrazine;pentakis(2,2,2-trifluoroacetic acid)
CID 159967518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride (CID 160663923) is 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride is CC(C)(C)OC(=O)CCOCCOCCOCCOCC=O.CC(C)(C)OC(=O)CCOCCOCCOCCOCCO.CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)NCCOCCO.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)O)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C(C)C.Cl.Cl.Cl.NCCCC[C@H](N)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O.NCCOCCON1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1O.[2H]CC.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride?
The InChIKey is PWWUOFOBRPNTBI-SAPZLNNHSA-N. The full InChI is InChI=1S/C58H96N4O12S.C54H88N4O12S.C28H42N4O9.C18H26N4O5.C15H30O7.C15H28O7.C12H14N2O4.C9H19NO4.C8H5NO3.C2H6.3ClH/c1-15-42(6)54(50(68-13)39-51(65)62-25-19-22-47(62)55(69-14)43(7)48(63)37-45(56-59-24-35-75-56)36-44-20-17-16-18-21-44)61(12)57(67)46(40(2)3)38-49(64)53(41(4)5)60(11)26-28-71-30-32-73-34-33-72-31-29-70-27-23-52(66)74-58(8,9)10;1-12-39(6)51(57(9)54(64)43(37(2)3)35-46(60)50(38(4)5)56(8)23-25-68-27-29-70-31-30-69-28-26-67-24-20-49(62)63)47(65-10)36-48(61)58-22-16-19-44(58)52(66-11)40(7)45(59)34-42(53-55-21-32-71-53)33-41-17-14-13-15-18-41;1-27(2,3)40-25(36)30-14-10-9-13-21(31-26(37)41-28(4,5)6)22(33)29-15-16-38-17-18-39-32-23(34)19-11-7-8-12-20(19)24(32)35;19-8-4-3-7-15(20)16(23)21-9-10-26-11-12-27-22-17(24)13-5-1-2-6-14(13)18(22)25;2*1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;13-5-6-17-7-8-18-14-11(15)9-3-1-2-4-10(9)12(14)16;1-9(2,3)14-8(12)10-4-6-13-7-5-11;10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-2;;;/h16-18,20-21,24,35,40-43,45-47,50,53-55H,15,19,22-23,25-34,36-39H2,1-14H3;13-15,17-18,21,32,37-40,42-44,47,50-52H,12,16,19-20,22-31,33-36H2,1-11H3,(H,62,63);7-8,11-12,21H,9-10,13-18H2,1-6H3,(H,29,33)(H,30,36)(H,31,37);1-2,5-6,15H,3-4,7-12,19-20H2,(H,21,23);16H,4-13H2,1-3H3;5H,4,6-13H2,1-3H3;1-4H,5-8,13H2;11H,4-7H2,1-3H3,(H,10,12);1-4,12H;1-2H3;3*1H/t42-,43-,45+,46-,47-,50+,53-,54-,55+;39-,40-,42+,43-,44-,47+,50-,51-,52+;21-;15-;;;;;;;;;/m0010........./s1/i;;;;;;;;;1D;;;.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride?
2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride has a molecular weight of 4449.84 g/mol, XLogP of 23.58, 141 rotatable bonds, 12 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]isoindole-1,3-dione;tert-butyl N-[(2R)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl 3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate;deuterioethane;(2S)-2,6-diamino-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]hexanamide;2-hydroxyisoindole-1,3-dione;3-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;trihydrochloride is sourced from PubChem (CID 160663923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).