About (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid (PubChem CID 158519134) has the molecular formula C193H216F3N39O32
and a molecular weight of 3651.09 g/mol. Its IUPAC name is (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid?
The IUPAC name of (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid (CID 158519134) is (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid?
The canonical SMILES for (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid is C=C(c1ccncc1)N(CC)c1cncnc1C[C@@H](Cc1ccc(-n2c(=O)n(CCOCCOCC(COCCOCCn3c(=O)n(-c4ccc(C[C@H](Cc5ncncc5N(CC)C(=O)c5ccncc5)C(=O)O)cc4)c4ncccc43)OCCOCCn3c(=O)n(-c4ccc(C[C@H](Cc5ncncc5N(CC)C(=O)c5ccncc5)C(=O)O)cc4)c4ncccc43)c3cccnc32)cc1)C(=O)O.CCc1cnc(N(CC)CC)nc1C[C@@H](Cc1ccc(-n2c(=O)n(CCOCCOCC(COCCOCCn3c(=O)n(-c4ccc(C[C@H](Cc5nc(N(CC)CC)ncc5CC(F)(F)F)C(=O)O)cc4)c4ncccc43)OCCOCCn3c(=O)n(-c4ccc(C[C@H](Cc5nc(N(CC)CC)ncc5CC)C(=O)O)cc4)c4ncccc43)c3cccnc32)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid?
The InChIKey is HLZPTCICPDVXRE-MANUJYHKSA-N. The full InChI is InChI=1S/C100H103N21O17.C93H113F3N18O15/c1-5-113(67(4)71-26-35-101-36-27-71)87-59-104-64-110-81(87)56-74(95(124)125)53-68-14-20-77(21-15-68)119-90-84(11-8-32-107-90)116(98(119)130)41-44-133-47-49-136-62-80(138-52-51-135-46-43-118-86-13-10-34-109-92(86)121(100(118)132)79-24-18-70(19-25-79)55-76(97(128)129)58-83-89(61-106-66-112-83)115(7-3)94(123)73-30-39-103-40-31-73)63-137-50-48-134-45-42-117-85-12-9-33-108-91(85)120(99(117)131)78-22-16-69(17-23-78)54-75(96(126)127)57-82-88(60-105-65-111-82)114(6-2)93(122)72-28-37-102-38-29-72;1-9-65-57-100-87(106(11-3)12-4)103-75(65)53-67(84(115)116)50-62-23-29-71(30-24-62)112-81-78(20-17-35-97-81)109(90(112)121)38-41-124-44-46-127-60-74(129-49-48-126-43-40-111-80-22-19-37-99-83(80)114(92(111)123)72-31-25-63(26-32-72)51-68(85(117)118)54-76-66(10-2)58-101-88(104-76)107(13-5)14-6)61-128-47-45-125-42-39-110-79-21-18-36-98-82(79)113(91(110)122)73-33-27-64(28-34-73)52-69(86(119)120)55-77-70(56-93(94,95)96)59-102-89(105-77)108(15-7)16-8/h8-40,59-61,64-66,74-76,80H,4-7,41-58,62-63H2,1-3H3,(H,124,125)(H,126,127)(H,128,129);17-37,57-59,67-69,74H,9-16,38-56,60-61H2,1-8H3,(H,115,116)(H,117,118)(H,119,120)/t74-,75-,76-,80?;67-,68-,69-,74?/m11/s1.
What are the key properties of (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid?
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid has a molecular weight of 3651.09 g/mol, XLogP of 20.55, 104 rotatable bonds, 6 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 158519134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).