(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)

C226H339N15O41S7Y4-4 — CID 161369768

IUPAC(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCC(=O)C(CCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1.CNC(=O)CCCSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2[CH-]C3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2CC3)c1.CNC(=O)CCN1C(=O)CC(SC(C)(C)CN(CCOCCOCCOC)c2cc(COc3cc4c(cc3C)C(=O)N3CCC[C@H]3CC4)cc(COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3[CH-]C4)c2)C1=O.[Y].[Y].[Y].[Y]
InChIInChI=1S/C55H72N5O11S.C53H72N3O12S3.C53H72N3O9S2.C52H71N4O9S.13CH4.4Y/c1-36-25-44-39(11-13-41-9-7-16-58(41)52(44)63)29-46(36)70-33-37-26-38(34-71-48-30-40-12-14-42-10-8-17-59(42)53(64)45(40)31-47(48)67-6)28-43(27-37)57(19-20-68-23-24-69-22-21-66-5)35-55(2,3)72-49-32-51(62)60(54(49)65)18-15-50(61)56-4;1-7-46(57)50(71(60,61)62)16-25-69-70-53(3,4)35-54(19-20-65-23-24-66-22-21-63-5)43-28-37(33-67-47-30-39-12-14-41-10-8-17-55(41)51(58)44(39)26-36(47)2)27-38(29-43)34-68-49-31-40-13-15-42-11-9-18-56(42)52(59)45(40)32-48(49)64-6;1-7-45(57)13-10-26-66-67-53(3,4)36-54(20-21-62-24-25-63-23-22-60-5)44-29-38(34-64-48-31-40-14-16-42-11-8-18-55(42)51(58)46(40)27-37(48)2)28-39(30-44)35-65-50-32-41-15-17-43-12-9-19-56(43)52(59)47(41)33-49(50)61-6;1-36-26-44-39(13-15-41-10-7-17-55(41)50(44)58)30-46(36)64-33-37-27-38(34-65-48-31-40-14-16-42-11-8-18-56(42)51(59)45(40)32-47(48)61-6)29-43(28-37)54(19-20-62-23-24-63-22-21-60-5)35-52(2,3)66-25-9-12-49(57)53-4;;;;;;;;;;;;;;;;;/h14,25-31,41-42,49H,7-13,15-24,32-35H2,1-6H3,(H,56,61);15,26-32,41-42,50H,7-14,16-25,33-35H2,1-6H3,(H,60,61,62);17,27-33,42-43H,7-16,18-26,34-36H2,1-6H3;15,26-32,41-42H,7-14,16-25,33-35H2,1-6H3,(H,53,57);13*1H4;;;;/q4*-1;;;;;;;;;;;;;;;;;/t41-,42-,49?;41-,42-,50?;42-,43-;41-,42-;;;;;;;;;;;;;;;;;/m0000................./s1
InChIKeyAQUGSFGTUUFFAM-BIFXRVFJSA-N
MW4502.36 g/mol
LogP40.03
Rot. Bonds101

About (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)

(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) (PubChem CID 161369768) has the molecular formula C226H339N15O41S7Y4-4 and a molecular weight of 4502.36 g/mol. Its IUPAC name is (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium).

Molecular Properties

Compound Name(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)
PubChem CID161369768
Molecular FormulaC226H339N15O41S7Y4-4
Molecular Weight4502.36 g/mol
Exact Mass4498.92
IUPAC Name(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCC(=O)C(CCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1.CNC(=O)CCCSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2[CH-]C3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2CC3)c1.CNC(=O)CCN1C(=O)CC(SC(C)(C)CN(CCOCCOCCOC)c2cc(COc3cc4c(cc3C)C(=O)N3CCC[C@H]3CC4)cc(COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3[CH-]C4)c2)C1=O.[Y].[Y].[Y].[Y]
InChIInChI=1S/C55H72N5O11S.C53H72N3O12S3.C53H72N3O9S2.C52H71N4O9S.13CH4.4Y/c1-36-25-44-39(11-13-41-9-7-16-58(41)52(44)63)29-46(36)70-33-37-26-38(34-71-48-30-40-12-14-42-10-8-17-59(42)53(64)45(40)31-47(48)67-6)28-43(27-37)57(19-20-68-23-24-69-22-21-66-5)35-55(2,3)72-49-32-51(62)60(54(49)65)18-15-50(61)56-4;1-7-46(57)50(71(60,61)62)16-25-69-70-53(3,4)35-54(19-20-65-23-24-66-22-21-63-5)43-28-37(33-67-47-30-39-12-14-41-10-8-17-55(41)51(58)44(39)26-36(47)2)27-38(29-43)34-68-49-31-40-13-15-42-11-9-18-56(42)52(59)45(40)32-48(49)64-6;1-7-45(57)13-10-26-66-67-53(3,4)36-54(20-21-62-24-25-63-23-22-60-5)44-29-38(34-64-48-31-40-14-16-42-11-8-18-55(42)51(58)46(40)27-37(48)2)28-39(30-44)35-65-50-32-41-15-17-43-12-9-19-56(43)52(59)47(41)33-49(50)61-6;1-36-26-44-39(13-15-41-10-7-17-55(41)50(44)58)30-46(36)64-33-37-27-38(34-65-48-31-40-14-16-42-11-8-18-56(42)51(59)45(40)32-47(48)61-6)29-43(28-37)54(19-20-62-23-24-63-22-21-60-5)35-52(2,3)66-25-9-12-49(57)53-4;;;;;;;;;;;;;;;;;/h14,25-31,41-42,49H,7-13,15-24,32-35H2,1-6H3,(H,56,61);15,26-32,41-42,50H,7-14,16-25,33-35H2,1-6H3,(H,60,61,62);17,27-33,42-43H,7-16,18-26,34-36H2,1-6H3;15,26-32,41-42H,7-14,16-25,33-35H2,1-6H3,(H,53,57);13*1H4;;;;/q4*-1;;;;;;;;;;;;;;;;;/t41-,42-,49?;41-,42-,50?;42-,43-;41-,42-;;;;;;;;;;;;;;;;;/m0000................./s1
InChIKeyAQUGSFGTUUFFAM-BIFXRVFJSA-N
XLogP40.03
TPSA581.05 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds101
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004502.36
LogP ≤ 540.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Analyze (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) with MolForge

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What is the IUPAC name of (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)?
The IUPAC name of (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) (CID 161369768) is (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium).
What is the SMILES notation for (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)?
The canonical SMILES for (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) is C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(=O)C(CCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2[CH-]C3)c1.CNC(=O)CCCSC(C)(C)CN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2CCC[C@H]2[CH-]C3)cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2CC3)c1.CNC(=O)CCN1C(=O)CC(SC(C)(C)CN(CCOCCOCCOC)c2cc(COc3cc4c(cc3C)C(=O)N3CCC[C@H]3CC4)cc(COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3[CH-]C4)c2)C1=O.[Y].[Y].[Y].[Y].
What is the InChIKey of (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)?
The InChIKey is AQUGSFGTUUFFAM-BIFXRVFJSA-N. The full InChI is InChI=1S/C55H72N5O11S.C53H72N3O12S3.C53H72N3O9S2.C52H71N4O9S.13CH4.4Y/c1-36-25-44-39(11-13-41-9-7-16-58(41)52(44)63)29-46(36)70-33-37-26-38(34-71-48-30-40-12-14-42-10-8-17-59(42)53(64)45(40)31-47(48)67-6)28-43(27-37)57(19-20-68-23-24-69-22-21-66-5)35-55(2,3)72-49-32-51(62)60(54(49)65)18-15-50(61)56-4;1-7-46(57)50(71(60,61)62)16-25-69-70-53(3,4)35-54(19-20-65-23-24-66-22-21-63-5)43-28-37(33-67-47-30-39-12-14-41-10-8-17-55(41)51(58)44(39)26-36(47)2)27-38(29-43)34-68-49-31-40-13-15-42-11-9-18-56(42)52(59)45(40)32-48(49)64-6;1-7-45(57)13-10-26-66-67-53(3,4)36-54(20-21-62-24-25-63-23-22-60-5)44-29-38(34-64-48-31-40-14-16-42-11-8-18-55(42)51(58)46(40)27-37(48)2)28-39(30-44)35-65-50-32-41-15-17-43-12-9-19-56(43)52(59)47(41)33-49(50)61-6;1-36-26-44-39(13-15-41-10-7-17-55(41)50(44)58)30-46(36)64-33-37-27-38(34-65-48-31-40-14-16-42-11-8-18-56(42)51(59)45(40)32-47(48)61-6)29-43(28-37)54(19-20-62-23-24-63-22-21-60-5)35-52(2,3)66-25-9-12-49(57)53-4;;;;;;;;;;;;;;;;;/h14,25-31,41-42,49H,7-13,15-24,32-35H2,1-6H3,(H,56,61);15,26-32,41-42,50H,7-14,16-25,33-35H2,1-6H3,(H,60,61,62);17,27-33,42-43H,7-16,18-26,34-36H2,1-6H3;15,26-32,41-42H,7-14,16-25,33-35H2,1-6H3,(H,53,57);13*1H4;;;;/q4*-1;;;;;;;;;;;;;;;;;/t41-,42-,49?;41-,42-,50?;42-,43-;41-,42-;;;;;;;;;;;;;;;;;/m0000................./s1.
What are the key properties of (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium)?
(6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) has a molecular weight of 4502.36 g/mol, XLogP of 40.03, 101 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3-[[3-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-11-one;1-[[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;3-[3-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-methylpropanamide;4-[1-[3-[[(6aR)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxymethyl]-5-[[(6aR)-2-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-6-id-3-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]sulfanyl-N-methylbutanamide;methane;tetrakis(yttrium) is sourced from PubChem (CID 161369768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).