About (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (PubChem CID 158354365) has the molecular formula C215H393N29O36Si2
and a molecular weight of 4016.85 g/mol. Its IUPAC name is (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.
Frequently Asked Questions
What is the IUPAC name of (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?
The IUPAC name of (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (CID 158354365) is (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.
What is the SMILES notation for (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?
The canonical SMILES for (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is CC[C@H]1CC(=O)[C@@H]([C@H](O)[C@H](C)CCN2CCN(C)CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1CC(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCN(CC)CC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1CC(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCN2CCN(C)CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.
What is the InChIKey of (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?
The InChIKey is GSRVLUNABYQSGG-SWHFFAAOSA-N. The full InChI is InChI=1S/C74H136N10O12Si.C73H135N9O12Si.C68H122N10O12/c1-31-54-42-61(87)64(65(96-97(29,30)74(18,19)20)50(14)32-33-84-36-34-76(21)35-37-84)83(28)73(95)63(49(12)13)82(27)71(93)58(40-46(6)7)80(25)72(94)62(48(10)11)81(26)67(89)52(16)75-66(88)51(15)41-59(85)56(38-44(2)3)79(24)70(92)55(47(8)9)43-60(86)57(39-45(4)5)78(23)68(90)53(17)77(22)69(54)91;1-32-53-41-60(85)63(64(94-95(30,31)73(20,21)22)49(16)35-36-82(33-2)34-3)81(29)72(93)62(48(14)15)80(28)70(91)57(39-45(8)9)78(26)71(92)61(47(12)13)79(27)66(87)51(18)74-65(86)50(17)40-58(83)55(37-43(4)5)77(25)69(90)54(46(10)11)42-59(84)56(38-44(6)7)76(24)67(88)52(19)75(23)68(53)89;1-26-49-37-56(81)59(60(82)45(14)27-28-78-31-29-70(18)30-32-78)77(25)68(90)58(44(12)13)76(24)66(88)53(35-41(6)7)74(22)67(89)57(43(10)11)75(23)62(84)47(16)69-61(83)46(15)36-54(79)51(33-39(2)3)73(21)65(87)50(42(8)9)38-55(80)52(34-40(4)5)72(20)63(85)48(17)71(19)64(49)86/h44-58,62-65H,31-43H2,1-30H3,(H,75,88);43-57,61-64H,32-42H2,1-31H3,(H,74,86);39-53,57-60,82H,26-38H2,1-25H3,(H,69,83)/t50-,51+,52+,53-,54+,55-,56-,57+,58-,62?,63-,64+,65-;49-,50+,51+,52-,53+,54-,55-,56+,57-,61?,62-,63+,64-;45-,46+,47+,48-,49+,50-,51-,52+,53-,57?,58-,59+,60-/m111/s1.
What are the key properties of (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?
(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone has a molecular weight of 4016.85 g/mol, XLogP of 22.78, 51 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(diethylamino)-2-methylbutyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-14-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-17-ethyl-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)butyl]-2,4,7,10,13,19,20,22,28,32-decamethyl-8,23,29-tris(2-methylpropyl)-5,11,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is sourced from PubChem (CID 158354365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).