About (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid
(2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid (PubChem CID 159673489) has the molecular formula C134H117F3N4O24S
and a molecular weight of 2256.47 g/mol. Its IUPAC name is (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid (CID 159673489) is (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid is CC(C)(C)c1ccc(C(=O)/C=C(\C(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc3c(c2)CCC3)cc1.O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)cc1.O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCC2)c1ccc(SC(F)(F)F)cc1.O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCCC2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid?
The InChIKey is MUHJMMRZGUMGMP-AJYGSLFRSA-N. The full InChI is InChI=1S/C36H31NO6.C35H29NO6.C33H33NO6.C30H24F3NO6S/c38-32(26-13-10-25(11-14-26)23-6-2-1-3-7-23)21-31(30-19-12-24-8-4-5-9-29(24)20-30)34(40)27-15-17-28(18-16-27)35(41)37-22-33(39)36(42)43;37-31(25-12-9-24(10-13-25)22-5-2-1-3-6-22)20-30(29-18-11-23-7-4-8-28(23)19-29)33(39)26-14-16-27(17-15-26)34(40)36-21-32(38)35(41)42;1-33(2,3)26-15-13-21(14-16-26)28(35)18-27(25-12-7-20-5-4-6-24(20)17-25)30(37)22-8-10-23(11-9-22)31(38)34-19-29(36)32(39)40;31-30(32,33)41-23-12-10-18(11-13-23)25(35)15-24(22-9-4-17-2-1-3-21(17)14-22)27(37)19-5-7-20(8-6-19)28(38)34-16-26(36)29(39)40/h1-3,6-7,10-21,33,39H,4-5,8-9,22H2,(H,37,41)(H,42,43);1-3,5-6,9-20,32,38H,4,7-8,21H2,(H,36,40)(H,41,42);7-18,29,36H,4-6,19H2,1-3H3,(H,34,38)(H,39,40);4-15,26,36H,1-3,16H2,(H,34,38)(H,39,40)/b31-21-;30-20-;27-18-;24-15-/t33-;32-;29-;26-/m1111/s1.
What are the key properties of (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid?
(2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid has a molecular weight of 2256.47 g/mol, XLogP of 20.63, 39 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[4-[(Z)-4-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxobut-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-(4-phenylphenyl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-3-[[4-[(Z)-2-(2,3-dihydro-1H-inden-5-yl)-4-oxo-4-[4-(trifluoromethylsulfanyl)phenyl]but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid;(2R)-2-hydroxy-3-[[4-[(Z)-4-oxo-4-(4-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 159673489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).