2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine

C264H346N40O6S12+14 — CID 162219975

IUPAC2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine
SMILESCC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)CSSCC(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N2CCCN(CCCCSSCCCCN3CCCN(c4ccc(/C=C/c5cccc[n+]5CC)cc4)CC3)CC2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CSSCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCC[n+]1ccn(CCSSCCn2cc[n+](CCCN(C)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)c2)c1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.C[n+]1ccc(/C=C/c2ccc(N3CCN(CCSSCCN4CCN(c5ccc(/C=C/c6cc[n+](C)cc6)cc5)CC4)CC3)cc2)cc1
InChIInChI=1S/C48H66N6S2.C46H58N8S2.C44H60N8O2S2.C44H58N6O2S2.C42H54N6O2S2.C40H50N6S2/c1-3-51-33-7-5-15-45(51)23-17-43-19-25-47(26-20-43)53-35-13-31-49(37-39-53)29-9-11-41-55-56-42-12-10-30-50-32-14-36-54(40-38-50)48-27-21-44(22-28-48)18-24-46-16-6-8-34-52(46)4-2;1-47-27-19-43(20-28-47)9-7-41-11-15-45(16-12-41)49(3)23-5-25-51-31-33-53(39-51)35-37-55-56-38-36-54-34-32-52(40-54)26-6-24-50(4)46-17-13-42(14-18-46)8-10-44-21-29-48(2)30-22-44;1-7-51-33-11-9-15-39(51)27-21-35-17-23-37(24-18-35)47(3)29-13-31-49(5)43(53)41(45)55-56-42(46)44(54)50(6)32-14-30-48(4)38-25-19-36(20-26-38)22-28-40-16-10-12-34-52(40)8-2;1-7-49-33-11-9-15-41(49)27-21-37-17-23-39(24-18-37)45(3)29-13-31-47(5)43(51)35-53-54-36-44(52)48(6)32-14-30-46(4)40-25-19-38(20-26-40)22-28-42-16-10-12-34-50(42)8-2;1-43-29-21-37(22-30-43)11-9-35-13-17-39(18-14-35)45(3)25-7-27-47(5)41(49)33-51-52-34-42(50)48(6)28-8-26-46(4)40-19-15-36(16-20-40)10-12-38-23-31-44(2)32-24-38;1-41-19-15-37(16-20-41)5-3-35-7-11-39(12-8-35)45-27-23-43(24-28-45)31-33-47-48-34-32-44-25-29-46(30-26-44)40-13-9-36(10-14-40)4-6-38-17-21-42(2)22-18-38/h5-8,15-28,33-34H,3-4,9-14,29-32,35-42H2,1-2H3;7-22,27-34,39-40H,5-6,23-26,35-38H2,1-4H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-12,15-28,33-34H,7-8,13-14,29-32,35-36H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;3-22H,23-34H2,1-2H3/q+2;+4;4*+2
InChIKeyIALZQEPFCLCTSN-UHFFFAOYSA-N
MW4560.75 g/mol
LogP41.78
Rot. Bonds114

About 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine

2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine (PubChem CID 162219975) has the molecular formula C264H346N40O6S12+14 and a molecular weight of 4560.75 g/mol. Its IUPAC name is 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine.

Molecular Properties

Compound Name2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine
PubChem CID162219975
Molecular FormulaC264H346N40O6S12+14
Molecular Weight4560.75 g/mol
Exact Mass4556.46
IUPAC Name2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine
SMILESCC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)CSSCC(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N2CCCN(CCCCSSCCCCN3CCCN(c4ccc(/C=C/c5cccc[n+]5CC)cc4)CC3)CC2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CSSCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCC[n+]1ccn(CCSSCCn2cc[n+](CCCN(C)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)c2)c1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.C[n+]1ccc(/C=C/c2ccc(N3CCN(CCSSCCN4CCN(c5ccc(/C=C/c6cc[n+](C)cc6)cc5)CC4)CC3)cc2)cc1
InChIInChI=1S/C48H66N6S2.C46H58N8S2.C44H60N8O2S2.C44H58N6O2S2.C42H54N6O2S2.C40H50N6S2/c1-3-51-33-7-5-15-45(51)23-17-43-19-25-47(26-20-43)53-35-13-31-49(37-39-53)29-9-11-41-55-56-42-12-10-30-50-32-14-36-54(40-38-50)48-27-21-44(22-28-48)18-24-46-16-6-8-34-52(46)4-2;1-47-27-19-43(20-28-47)9-7-41-11-15-45(16-12-41)49(3)23-5-25-51-31-33-53(39-51)35-37-55-56-38-36-54-34-32-52(40-54)26-6-24-50(4)46-17-13-42(14-18-46)8-10-44-21-29-48(2)30-22-44;1-7-51-33-11-9-15-39(51)27-21-35-17-23-37(24-18-35)47(3)29-13-31-49(5)43(53)41(45)55-56-42(46)44(54)50(6)32-14-30-48(4)38-25-19-36(20-26-38)22-28-40-16-10-12-34-52(40)8-2;1-7-49-33-11-9-15-41(49)27-21-37-17-23-39(24-18-37)45(3)29-13-31-47(5)43(51)35-53-54-36-44(52)48(6)32-14-30-46(4)40-25-19-38(20-26-40)22-28-42-16-10-12-34-50(42)8-2;1-43-29-21-37(22-30-43)11-9-35-13-17-39(18-14-35)45(3)25-7-27-47(5)41(49)33-51-52-34-42(50)48(6)28-8-26-46(4)40-19-15-36(16-20-40)10-12-38-23-31-44(2)32-24-38;1-41-19-15-37(16-20-41)5-3-35-7-11-39(12-8-35)45-27-23-43(24-28-45)31-33-47-48-34-32-44-25-29-46(30-26-44)40-13-9-36(10-14-40)4-6-38-17-21-42(2)22-18-38/h5-8,15-28,33-34H,3-4,9-14,29-32,35-42H2,1-2H3;7-22,27-34,39-40H,5-6,23-26,35-38H2,1-4H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-12,15-28,33-34H,7-8,13-14,29-32,35-36H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;3-22H,23-34H2,1-2H3/q+2;+4;4*+2
InChIKeyIALZQEPFCLCTSN-UHFFFAOYSA-N
XLogP41.78
TPSA289.92 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds114
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004560.75
LogP ≤ 541.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine with MolForge

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Related Compounds

2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;2-amino-2-[[1-amino-2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-methyl-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;4-[(E)-2-(1-benzyl-2-methylpyridin-1-ium-4-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1-benzyl-2-methylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl 2-[[2-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propoxy]-2-oxoethyl]disulfanyl]acetate
CID 159649658
4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-[4-[4-[4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]butyldisulfanyl]butyl]-N-methylaniline
CID 76595618
methyl-[(1Z,3Z)-3-[(E)-2-[4-[methyl-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]amino]phenyl]ethenyl]penta-1,3-dienyl]azanium
CID 143546620
N-[4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-N'-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-N,N'-dimethylbutane-1,4-diamine dichloride
CID 68819776
N-methyl-N-[3-[3-[4-[4-[3-[3-[methyl-[4-[(E)-2-(1-methyl-1,2-dihydropyridin-1-ium-6-yl)ethenyl]cyclohexa-1,3-dien-1-yl]amino]propyl]imidazol-3-ium-1-yl]butyldisulfanyl]butyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 140586741
N-methyl-N-[3-[N-methyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]-3-sulfanyl-2-(sulfanylmethyl)propanamide
CID 123334730
1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[2-(1-methylpyridin-1-ium-4-yl)ethyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine
CID 88591541
4-[(E)-2-(1-benzylpyridin-1-ium-4-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1-benzylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;2-[2-[(E)-2-[4-[2-[2-[4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol;2-[4-[(E)-2-[4-[2-[2-[4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl-methylamino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol;2-[2-[(E)-1-[4-[2-[2-[4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]prop-1-enyl]-N-methylanilino]ethyldisulfanyl]ethyl-methylamino]phenyl]prop-1-en-2-yl]pyridin-1-ium-1-yl]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N-methyl-N-[2-[2-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
CID 158761060
1-hexyl-2-[2-(4-piperidin-1-ylphenyl)ethenyl]pyridin-1-ium bromide
CID 70455196
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
N-methyl-4-[[4-[methyl-[3-[N-methyl-4-[(1E,3Z)-3-[(Z)-2-(methylamino)ethenyl]penta-1,3-dienyl]anilino]propyl]amino]-4-oxobutyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]butanamide
CID 90435800
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[3-[3-[4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]propyldisulfanyl]propyl]-N-methylaniline
CID 76595638

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine?
The IUPAC name of 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine (CID 162219975) is 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine.
What is the SMILES notation for 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine?
The canonical SMILES for 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine is CC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N(C)CCCN(C)C(=O)CSSCC(=O)N(C)CCCN(C)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1.CC[n+]1ccccc1/C=C/c1ccc(N2CCCN(CCCCSSCCCCN3CCCN(c4ccc(/C=C/c5cccc[n+]5CC)cc4)CC3)CC2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CSSCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCC[n+]1ccn(CCSSCCn2cc[n+](CCCN(C)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)c2)c1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.C[n+]1ccc(/C=C/c2ccc(N3CCN(CCSSCCN4CCN(c5ccc(/C=C/c6cc[n+](C)cc6)cc5)CC4)CC3)cc2)cc1.
What is the InChIKey of 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine?
The InChIKey is IALZQEPFCLCTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66N6S2.C46H58N8S2.C44H60N8O2S2.C44H58N6O2S2.C42H54N6O2S2.C40H50N6S2/c1-3-51-33-7-5-15-45(51)23-17-43-19-25-47(26-20-43)53-35-13-31-49(37-39-53)29-9-11-41-55-56-42-12-10-30-50-32-14-36-54(40-38-50)48-27-21-44(22-28-48)18-24-46-16-6-8-34-52(46)4-2;1-47-27-19-43(20-28-47)9-7-41-11-15-45(16-12-41)49(3)23-5-25-51-31-33-53(39-51)35-37-55-56-38-36-54-34-32-52(40-54)26-6-24-50(4)46-17-13-42(14-18-46)8-10-44-21-29-48(2)30-22-44;1-7-51-33-11-9-15-39(51)27-21-35-17-23-37(24-18-35)47(3)29-13-31-49(5)43(53)41(45)55-56-42(46)44(54)50(6)32-14-30-48(4)38-25-19-36(20-26-38)22-28-40-16-10-12-34-52(40)8-2;1-7-49-33-11-9-15-41(49)27-21-37-17-23-39(24-18-37)45(3)29-13-31-47(5)43(51)35-53-54-36-44(52)48(6)32-14-30-46(4)40-25-19-38(20-26-40)22-28-42-16-10-12-34-50(42)8-2;1-43-29-21-37(22-30-43)11-9-35-13-17-39(18-14-35)45(3)25-7-27-47(5)41(49)33-51-52-34-42(50)48(6)28-8-26-46(4)40-19-15-36(16-20-40)10-12-38-23-31-44(2)32-24-38;1-41-19-15-37(16-20-41)5-3-35-7-11-39(12-8-35)45-27-23-43(24-28-45)31-33-47-48-34-32-44-25-29-46(30-26-44)40-13-9-36(10-14-40)4-6-38-17-21-42(2)22-18-38/h5-8,15-28,33-34H,3-4,9-14,29-32,35-42H2,1-2H3;7-22,27-34,39-40H,5-6,23-26,35-38H2,1-4H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-12,15-28,33-34H,7-8,13-14,29-32,35-36H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;3-22H,23-34H2,1-2H3/q+2;+4;4*+2.
What are the key properties of 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine?
2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine has a molecular weight of 4560.75 g/mol, XLogP of 41.78, 114 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[1-amino-2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-N-methylacetamide;N-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl]-2-[[2-[3-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyl-methylamino]-2-oxoethyl]disulfanyl]-N-methylacetamide;1-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-4-[4-[4-[4-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-1,4-diazepan-1-yl]butyldisulfanyl]butyl]-1,4-diazepane;N-methyl-2-[[2-[methyl-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]amino]-2-oxoethyl]disulfanyl]-N-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]acetamide;N-methyl-N-[3-[3-[2-[2-[3-[3-[N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]imidazol-3-ium-1-yl]ethyldisulfanyl]ethyl]imidazol-1-ium-1-yl]propyl]-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;1-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-4-[2-[2-[4-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]piperazin-1-yl]ethyldisulfanyl]ethyl]piperazine is sourced from PubChem (CID 162219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).