[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate

C203H257F6N21O40S2Si6 — CID 161161436

IUPAC[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
SMILESCOc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(C)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C=N3)N=C[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O
InChIInChI=1S/C60H80N6O10Si2.C50H64F3N5O12SSi2.C48H52N6O6.C45H61F3N4O12SSi2/c1-41-31-48-50(65(39-72-27-29-77(5,6)7)59(69)52-33-45(38-63(52)57(48)67)43-17-21-47(22-18-43)74-26-14-23-62(2)3)35-54(41)75-24-12-11-13-25-76-56-36-51-49(34-55(56)71-4)58(68)64-37-44(42-15-19-46(61)20-16-42)32-53(64)60(70)66(51)40-73-28-30-78(8,9)10;1-32-22-37-39(57(30-66-18-20-72(3,4)5)49(62)42-24-36(29-56(42)46(37)59)70-71(63,64)50(51,52)53)26-43(32)68-16-10-9-11-17-69-45-27-40-38(25-44(45)65-2)47(60)55-28-34(33-12-14-35(54)15-13-33)23-41(55)48(61)58(40)31-67-19-21-73(6,7)8;1-31-21-40-42(50-27-37-23-35(30-53(37)47(40)55)33-11-15-39(16-12-33)58-20-8-17-52(2)3)25-44(31)59-18-6-5-7-19-60-46-26-43-41(24-45(46)57-4)48(56)54-29-34(22-38(54)28-51-43)32-9-13-36(49)14-10-32;1-29-19-36-43(55)52(28-61-16-18-67(7,8)9)35-24-40(39(59-3)22-33(35)42(54)49(36)25-29)63-14-12-10-11-13-62-38-23-34-32(20-30(38)2)41(53)50-26-31(64-65(57,58)45(46,47)48)21-37(50)44(56)51(34)27-60-15-17-66(4,5)6/h15-22,31,34-38,52-53H,11-14,23-30,32-33,39-40,61H2,1-10H3;12-15,22,25-29,41-42H,9-11,16-21,23-24,30-31,54H2,1-8H3;9-16,21,24-30,37-38H,5-8,17-20,22-23,49H2,1-4H3;20,22-26,36-37H,10-19,21,27-28H2,1-9H3/t52-,53-;41-,42-;37-,38-;36-,37-/m0000/s1
InChIKeyUPZACQBDAOPPDC-ANAIXNRLSA-N
MW3978.03 g/mol
LogP35.56
Rot. Bonds85

About [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate

[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate (PubChem CID 161161436) has the molecular formula C203H257F6N21O40S2Si6 and a molecular weight of 3978.03 g/mol. Its IUPAC name is [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
PubChem CID161161436
Molecular FormulaC203H257F6N21O40S2Si6
Molecular Weight3978.03 g/mol
Exact Mass3974.67
IUPAC Name[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
SMILESCOc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(C)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C=N3)N=C[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O
InChIInChI=1S/C60H80N6O10Si2.C50H64F3N5O12SSi2.C48H52N6O6.C45H61F3N4O12SSi2/c1-41-31-48-50(65(39-72-27-29-77(5,6)7)59(69)52-33-45(38-63(52)57(48)67)43-17-21-47(22-18-43)74-26-14-23-62(2)3)35-54(41)75-24-12-11-13-25-76-56-36-51-49(34-55(56)71-4)58(68)64-37-44(42-15-19-46(61)20-16-42)32-53(64)60(70)66(51)40-73-28-30-78(8,9)10;1-32-22-37-39(57(30-66-18-20-72(3,4)5)49(62)42-24-36(29-56(42)46(37)59)70-71(63,64)50(51,52)53)26-43(32)68-16-10-9-11-17-69-45-27-40-38(25-44(45)65-2)47(60)55-28-34(33-12-14-35(54)15-13-33)23-41(55)48(61)58(40)31-67-19-21-73(6,7)8;1-31-21-40-42(50-27-37-23-35(30-53(37)47(40)55)33-11-15-39(16-12-33)58-20-8-17-52(2)3)25-44(31)59-18-6-5-7-19-60-46-26-43-41(24-45(46)57-4)48(56)54-29-34(22-38(54)28-51-43)32-9-13-36(49)14-10-32;1-29-19-36-43(55)52(28-61-16-18-67(7,8)9)35-24-40(39(59-3)22-33(35)42(54)49(36)25-29)63-14-12-10-11-13-62-38-23-34-32(20-30(38)2)41(53)50-26-31(64-65(57,58)45(46,47)48)21-37(50)44(56)51(34)27-60-15-17-66(4,5)6/h15-22,31,34-38,52-53H,11-14,23-30,32-33,39-40,61H2,1-10H3;12-15,22,25-29,41-42H,9-11,16-21,23-24,30-31,54H2,1-8H3;9-16,21,24-30,37-38H,5-8,17-20,22-23,49H2,1-4H3;20,22-26,36-37H,10-19,21,27-28H2,1-9H3/t52-,53-;41-,42-;37-,38-;36-,37-/m0000/s1
InChIKeyUPZACQBDAOPPDC-ANAIXNRLSA-N
XLogP35.56
TPSA664.94 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds85
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003978.03
LogP ≤ 535.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate with MolForge

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Related Compounds

(6aS)-3-[3-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methyl-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[3-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-[(E)-2-phenylethenyl]-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[3-[[(6aS)-8-(4-aminophenyl)-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-[(E)-2-phenylethenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[3-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CID 162063783
(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-(4-methylphenyl)-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 58388865
3-[3-[[8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methyl-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 165063237
[3-[3-[[(6aS)-2-methoxy-6,11-dioxo-8-(trifluoromethylsulfonyloxy)-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CID 88899224
(6aS)-3-[3-[[(6aS)-8-(4-methoxyphenyl)-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 89398338
(6aS)-3-[3-[[(6aS)-8-(3-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methyl-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 88899464
(6aS)-3-[5-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-[4-(aminomethyl)phenyl]-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 140655236
[(6aS)-3-[3-[[(6aS)-2-methoxy-6,11-dioxo-8-[(E)-prop-1-enyl]-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CID 140676193
(6aS)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;(6aR)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-5,6,6a,7-tetrahydropyrrolo[1,2-b][2]benzazepin-11-one;(6aS)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-(5-bromopentoxy)-2-methoxy-8-methyl-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;prop-2-enyl (6aS)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
CID 163933835
[(6aS)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CID 172769640
(6aS)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 163933839
(6aS)-3-[3-[[(6aS)-8-(4-aminophenyl)-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-cyclopropyl-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 118391303

Frequently Asked Questions

What is the IUPAC name of [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate?
The IUPAC name of [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate (CID 161161436) is [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate?
The canonical SMILES for [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate is COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(C)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C(=O)N3COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(=O)[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1C=C(c4ccc(OCCCN(C)C)cc4)C[C@H]1C=N3)N=C[C@@H]1CC(c3ccc(N)cc3)=CN1C2=O.
What is the InChIKey of [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate?
The InChIKey is UPZACQBDAOPPDC-ANAIXNRLSA-N. The full InChI is InChI=1S/C60H80N6O10Si2.C50H64F3N5O12SSi2.C48H52N6O6.C45H61F3N4O12SSi2/c1-41-31-48-50(65(39-72-27-29-77(5,6)7)59(69)52-33-45(38-63(52)57(48)67)43-17-21-47(22-18-43)74-26-14-23-62(2)3)35-54(41)75-24-12-11-13-25-76-56-36-51-49(34-55(56)71-4)58(68)64-37-44(42-15-19-46(61)20-16-42)32-53(64)60(70)66(51)40-73-28-30-78(8,9)10;1-32-22-37-39(57(30-66-18-20-72(3,4)5)49(62)42-24-36(29-56(42)46(37)59)70-71(63,64)50(51,52)53)26-43(32)68-16-10-9-11-17-69-45-27-40-38(25-44(45)65-2)47(60)55-28-34(33-12-14-35(54)15-13-33)23-41(55)48(61)58(40)31-67-19-21-73(6,7)8;1-31-21-40-42(50-27-37-23-35(30-53(37)47(40)55)33-11-15-39(16-12-33)58-20-8-17-52(2)3)25-44(31)59-18-6-5-7-19-60-46-26-43-41(24-45(46)57-4)48(56)54-29-34(22-38(54)28-51-43)32-9-13-36(49)14-10-32;1-29-19-36-43(55)52(28-61-16-18-67(7,8)9)35-24-40(39(59-3)22-33(35)42(54)49(36)25-29)63-14-12-10-11-13-62-38-23-34-32(20-30(38)2)41(53)50-26-31(64-65(57,58)45(46,47)48)21-37(50)44(56)51(34)27-60-15-17-66(4,5)6/h15-22,31,34-38,52-53H,11-14,23-30,32-33,39-40,61H2,1-10H3;12-15,22,25-29,41-42H,9-11,16-21,23-24,30-31,54H2,1-8H3;9-16,21,24-30,37-38H,5-8,17-20,22-23,49H2,1-4H3;20,22-26,36-37H,10-19,21,27-28H2,1-9H3/t52-,53-;41-,42-;37-,38-;36-,37-/m0000/s1.
What are the key properties of [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate?
[(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate has a molecular weight of 3978.03 g/mol, XLogP of 35.56, 85 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aS)-3-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-[5-[[(6aS)-8-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methyl-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate is sourced from PubChem (CID 161161436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).