About 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 158248279) has the molecular formula C128H134F3N21O28S2
and a molecular weight of 2535.73 g/mol. Its IUPAC name is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione.
Frequently Asked Questions
What is the IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione (CID 158248279) is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione is CC(C)[C@H](C)Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4cccc[n+]4[O-])CC3)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.
What is the InChIKey of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?
The InChIKey is GGJXZWKQJIYTEO-DZNCJMBTSA-N. The full InChI is InChI=1S/C25H29N5O5.C23H23N3O6.C23H25N3O5.C19H16F3N3O4S.C19H22N4O4.C19H19N3O4S/c1-15(2)16(3)26-20-21(24(33)23(20)32)27-18-8-6-7-17(22(18)31)25(34)29-13-11-28(12-14-29)19-9-4-5-10-30(19)35;1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3;1-5-16(13-9-11-14(31-4)12-10-13)24-18-19(22(29)21(18)28)25-17-8-6-7-15(20(17)27)23(30)26(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-9(2)10(3)21-14-15(18(26)17(14)25)22-13-7-11(8-20)6-12(16(13)24)19(27)23(4)5;1-10(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3/h4-10,15-16,26-27,31H,11-14H2,1-3H3;5-10,14,24-25,27H,4,11H2,1-3H3;6-12,16,24-25,27H,5H2,1-4H3;3-8,17,23-24,26H,1-2H3;6-7,9-10,21-22,24H,1-5H3;4-10,20-21,23H,1-3H3/t16-;14-;16-;17-;2*10-/m011001/s1.
What are the key properties of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?
3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 2535.73 g/mol, XLogP of 15.16, 40 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 158248279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).