About bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid
bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid (PubChem CID 167545069) has the molecular formula C125H146Cl4F11N23O23S
and a molecular weight of 2721.54 g/mol. Its IUPAC name is bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid.
Frequently Asked Questions
What is the IUPAC name of bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid?
The IUPAC name of bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid (CID 167545069) is bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid?
The canonical SMILES for bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid is COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)N[C@@H](C)CN)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)N[C@@H](C)CN)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)O)CC4)c(Cl)c3)n2C)c(F)c1F.C[C@H](N)CCC(=O)OC(C)(C)C.O=C(O)C(F)(F)F.S.
What is the InChIKey of bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid?
The InChIKey is WTYMWOVPMSTGRQ-GMCZFQJYSA-N. The full InChI is InChI=1S/C33H39ClF2N6O6.2C28H31ClF2N6O4.C25H23ClF2N4O5.C9H19NO2.C2HF3O2.H2S/c1-18(16-38-32(46)48-33(2,3)4)39-29(43)19-11-13-42(14-12-19)31(45)21-8-7-20(15-23(21)34)40-30(44)28-37-17-24(41(28)5)22-9-10-25(47-6)27(36)26(22)35;2*1-15(13-32)34-26(38)16-8-10-37(11-9-16)28(40)18-5-4-17(12-20(18)29)35-27(39)25-33-14-21(36(25)2)19-6-7-22(41-3)24(31)23(19)30;1-31-18(16-5-6-19(37-2)21(28)20(16)27)12-29-22(31)23(33)30-14-3-4-15(17(26)11-14)24(34)32-9-7-13(8-10-32)25(35)36;1-7(10)5-6-8(11)12-9(2,3)4;3-2(4,5)1(6)7;/h7-10,15,17-19H,11-14,16H2,1-6H3,(H,38,46)(H,39,43)(H,40,44);2*4-7,12,14-16H,8-11,13,32H2,1-3H3,(H,34,38)(H,35,39);3-6,11-13H,7-10H2,1-2H3,(H,30,33)(H,35,36);7H,5-6,10H2,1-4H3;(H,6,7);1H2/t18-;2*15-;;7-;;/m000.0../s1.
What are the key properties of bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid?
bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid has a molecular weight of 2721.54 g/mol, XLogP of 18.77, 34 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(2S)-1-aminopropan-2-yl]-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide);tert-butyl (4S)-4-aminopentanoate;tert-butyl N-[(2S)-2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carbonyl]amino]propyl]carbamate;1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid;sulfane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167545069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).