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

C262H332N36O12S12+12 — CID 159649658

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;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
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.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)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(CCCOC(=O)CSSCC(=O)OCCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.Cc1cc(/C=C/c2ccc(N(C)CCSSCCN(C)c3ccc(/C=C/c4cc[n+](Cc5ccccc5)c(C)c4)cc3)cc2)cc[n+]1Cc1ccccc1
InChIInChI=1S/C48H52N4S2.C46H62N6O2S2.C44H60N8O2S2.C42H56N8O2S2.C42H54N6O2S2.C40H48N4O4S2/c1-39-35-43(27-29-51(39)37-45-11-7-5-8-12-45)17-15-41-19-23-47(24-20-41)49(3)31-33-53-54-34-32-50(4)48-25-21-42(22-26-48)16-18-44-28-30-52(40(2)36-44)38-46-13-9-6-10-14-46;1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;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;1-45-29-21-35(22-30-45)11-9-33-13-17-37(18-14-33)47(3)25-7-27-49(5)41(51)39(43)53-54-40(44)42(52)50(6)28-8-26-48(4)38-19-15-34(16-20-38)10-12-36-23-31-46(2)32-24-36;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;1-41-25-19-35(20-26-41)9-7-33-11-15-37(16-12-33)43(3)23-5-29-47-39(45)31-49-50-32-40(46)48-30-6-24-44(4)38-17-13-34(14-18-38)8-10-36-21-27-42(2)28-22-36/h5-30,35-36H,31-34,37-38H2,1-4H3;13-28,33-36H,7-12,29-32,37-38H2,1-6H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-24,29-32,39-40H,7-8,25-28,43-44H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;7-22,25-28H,5-6,23-24,29-32H2,1-4H3/q6*+2
InChIKeyMRJXDYJVKXEPAL-UHFFFAOYSA-N
MW4562.58 g/mol
LogP41.74
Rot. Bonds118

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;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

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 (PubChem CID 159649658) has the molecular formula C262H332N36O12S12+12 and a molecular weight of 4562.58 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;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.

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;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
PubChem CID159649658
Molecular FormulaC262H332N36O12S12+12
Molecular Weight4562.58 g/mol
Exact Mass4558.31
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;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
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.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)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(CCCOC(=O)CSSCC(=O)OCCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.Cc1cc(/C=C/c2ccc(N(C)CCSSCCN(C)c3ccc(/C=C/c4cc[n+](Cc5ccccc5)c(C)c4)cc3)cc2)cc[n+]1Cc1ccccc1
InChIInChI=1S/C48H52N4S2.C46H62N6O2S2.C44H60N8O2S2.C42H56N8O2S2.C42H54N6O2S2.C40H48N4O4S2/c1-39-35-43(27-29-51(39)37-45-11-7-5-8-12-45)17-15-41-19-23-47(24-20-41)49(3)31-33-53-54-34-32-50(4)48-25-21-42(22-26-48)16-18-44-28-30-52(40(2)36-44)38-46-13-9-6-10-14-46;1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;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;1-45-29-21-35(22-30-45)11-9-33-13-17-37(18-14-33)47(3)25-7-27-49(5)41(51)39(43)53-54-40(44)42(52)50(6)28-8-26-48(4)38-19-15-34(16-20-38)10-12-36-23-31-46(2)32-24-36;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;1-41-25-19-35(20-26-41)9-7-33-11-15-37(16-12-33)43(3)23-5-29-47-39(45)31-49-50-32-40(46)48-30-6-24-44(4)38-17-13-34(14-18-38)8-10-36-21-27-42(2)28-22-36/h5-30,35-36H,31-34,37-38H2,1-4H3;13-28,33-36H,7-12,29-32,37-38H2,1-6H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-24,29-32,39-40H,7-8,25-28,43-44H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;7-22,25-28H,5-6,23-24,29-32H2,1-4H3/q6*+2
InChIKeyMRJXDYJVKXEPAL-UHFFFAOYSA-N
XLogP41.74
TPSA404.60 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds118
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004562.58
LogP ≤ 541.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

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;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 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;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
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
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-[(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
3-[N-methyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl 2-[[2-[3-[4-[(1E,3E)-3-ethyl-5-methyliminopenta-1,3-dienyl]-N-methylanilino]propoxy]-2-oxoethyl]disulfanyl]acetate
CID 123138827
N'-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 143547026
N-[2-[2-[4-[(1E,3Z,4Z)-5-(benzylamino)-3-ethylidenehexa-1,4-dienyl]-N-methylanilino]ethyldisulfanyl]ethyl]-4-[(E)-2-(1-benzyl-2-methylpyridin-1-ium-4-yl)ethenyl]-N-methylaniline
CID 143546677
N-methyl-N-[3-[N-methyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilino]propyl]-3-sulfanyl-2-(sulfanylmethyl)propanamide
CID 123334730
4-[[4-[3-[4-[5-fluoro-3-[2-(methylamino)ethenyl]penta-1,3-dienyl]-N-methylanilino]propyl-methylamino]-4-oxobutyl]disulfanyl]-N-[3-[4-[2-(2-fluoro-1-methylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]propyl]-N-methylbutanamide
CID 149282721
N-benzyl-N-[2-(disulfanyl)ethyl]-4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]aniline
CID 149014389
4-[(E)-2-(1-ethyl-1,2-dihydropyridin-1-ium-6-yl)ethenyl]-N-[2-[2-[4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline
CID 140586710
N-benzyl-N-[4-[4-[N-benzyl-4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]anilino]butyldisulfanyl]butyl]-4-[(1E,3E,5Z)-7-ethyliminohepta-1,3,5-trienyl]aniline
CID 143546527

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;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?
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;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) 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;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.
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;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?
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;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 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.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)C(N)SSC(N)C(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C(=O)CCCSSCCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)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(CCCOC(=O)CSSCC(=O)OCCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.Cc1cc(/C=C/c2ccc(N(C)CCSSCCN(C)c3ccc(/C=C/c4cc[n+](Cc5ccccc5)c(C)c4)cc3)cc2)cc[n+]1Cc1ccccc1.
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;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?
The InChIKey is MRJXDYJVKXEPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4S2.C46H62N6O2S2.C44H60N8O2S2.C42H56N8O2S2.C42H54N6O2S2.C40H48N4O4S2/c1-39-35-43(27-29-51(39)37-45-11-7-5-8-12-45)17-15-41-19-23-47(24-20-41)49(3)31-33-53-54-34-32-50(4)48-25-21-42(22-26-48)16-18-44-28-30-52(40(2)36-44)38-46-13-9-6-10-14-46;1-47-33-25-41(26-34-47)15-13-39-17-21-43(22-18-39)49(3)29-9-31-51(5)45(53)11-7-37-55-56-38-8-12-46(54)52(6)32-10-30-50(4)44-23-19-40(20-24-44)14-16-42-27-35-48(2)36-28-42;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;1-45-29-21-35(22-30-45)11-9-33-13-17-37(18-14-33)47(3)25-7-27-49(5)41(51)39(43)53-54-40(44)42(52)50(6)28-8-26-48(4)38-19-15-34(16-20-38)10-12-36-23-31-46(2)32-24-36;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;1-41-25-19-35(20-26-41)9-7-33-11-15-37(16-12-33)43(3)23-5-29-47-39(45)31-49-50-32-40(46)48-30-6-24-44(4)38-17-13-34(14-18-38)8-10-36-21-27-42(2)28-22-36/h5-30,35-36H,31-34,37-38H2,1-4H3;13-28,33-36H,7-12,29-32,37-38H2,1-6H3;9-12,15-28,33-34,41-42H,7-8,13-14,29-32,45-46H2,1-6H3;9-24,29-32,39-40H,7-8,25-28,43-44H2,1-6H3;9-24,29-32H,7-8,25-28,33-34H2,1-6H3;7-22,25-28H,5-6,23-24,29-32H2,1-4H3/q6*+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;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?
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 has a molecular weight of 4562.58 g/mol, XLogP of 41.74, 118 rotatable bonds, 4 hydrogen bond donors, and 40 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;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 is sourced from PubChem (CID 159649658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).