About cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate
cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate (PubChem CID 167616935) has the molecular formula C226H172F12N16O40
and a molecular weight of 3979.91 g/mol. Its IUPAC name is cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate.
Frequently Asked Questions
What is the IUPAC name of cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate?
The IUPAC name of cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate (CID 167616935) is cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate?
The canonical SMILES for cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate is O=C(NCC1CO1)c1cccc(-c2cccc(Oc3cc4c5c(cc(Oc6cccc(-c7cccc(C(=O)NCC8CO8)c7)c6)c6c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc8c9c(cc(Oc%10cccc(-c%11cccc(C(=O)NCC%12CO%12)c%11)c%10)c(c3c56)c97)C(=O)N(C(Cc3ccncc3)C(=O)OC(C(F)(F)F)C(F)(F)F)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)OC(C(F)(F)F)C(F)(F)F)C4=O)c2)c1.O=C(NCC1CO1)c1cccc(-c2cccc(Oc3cc4c5c(cc(Oc6cccc(-c7cccc(C(=O)NCC8CO8)c7)c6)c6c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc8c9c(cc(Oc%10cccc(-c%11cccc(C(=O)NCC%12CO%12)c%11)c%10)c(c3c56)c97)C(=O)N(C(Cc3ccncc3)C(=O)OC3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)OC3CCCCC3)C4=O)c2)c1.
What is the InChIKey of cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate?
The InChIKey is LWNPPCCHHGTTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H96N8O20.C110H76F12N8O20/c125-107(119-57-85-61-135-85)75-23-7-15-67(45-75)71-19-11-31-81(49-71)139-95-53-89-99-90(112(130)123(111(89)129)93(43-65-35-39-117-40-36-65)115(133)143-79-27-3-1-4-28-79)54-96(140-82-32-12-20-72(50-82)68-16-8-24-76(46-68)108(126)120-58-86-62-136-86)102-104-98(142-84-34-14-22-74(52-84)70-18-10-26-78(48-70)110(128)122-60-88-64-138-88)56-92-100-91(113(131)124(114(92)132)94(44-66-37-41-118-42-38-66)116(134)144-80-29-5-2-6-30-80)55-97(103(106(100)104)101(95)105(99)102)141-83-33-13-21-73(51-83)69-17-9-25-77(47-69)109(127)121-59-87-63-137-87;111-107(112,113)105(108(114,115)116)149-103(139)81(33-55-25-29-123-30-26-55)129-99(135)77-43-83(145-69-21-5-13-61(39-69)57-9-1-17-65(35-57)95(131)125-47-73-51-141-73)89-90-84(146-70-22-6-14-62(40-70)58-10-2-18-66(36-58)96(132)126-48-74-52-142-74)44-79-88-80(102(138)130(101(79)137)82(34-56-27-31-124-32-28-56)104(140)150-106(109(117,118)119)110(120,121)122)46-86(148-72-24-8-16-64(42-72)60-12-4-20-68(38-60)98(134)128-50-76-54-144-76)92(94(88)90)91-85(45-78(100(129)136)87(77)93(89)91)147-71-23-7-15-63(41-71)59-11-3-19-67(37-59)97(133)127-49-75-53-143-75/h7-26,31-42,45-56,79-80,85-88,93-94H,1-6,27-30,43-44,57-64H2,(H,119,125)(H,120,126)(H,121,127)(H,122,128);1-32,35-46,73-76,81-82,105-106H,33-34,47-54H2,(H,125,131)(H,126,132)(H,127,133)(H,128,134).
What are the key properties of cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate?
cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate has a molecular weight of 3979.91 g/mol, XLogP of 38.41, 68 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[18-(1-cyclohexyloxy-1-oxo-3-pyridin-4-ylpropan-2-yl)-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]-11,14,22,26-tetrakis[3-[3-(oxiran-2-ylmethylcarbamoyl)phenyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 167616935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).