(3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-2-methyl-hex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Systemtic Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-2-methyl-hex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Openeye Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-2-methyl-hex-4-enyl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylthio]-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Traditional Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33R)-33-[(E,1R,2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylthio]-2-methyl-hex-4-enyl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Formula: C70H129N11O12SSi MolecularWeight: 1376.99026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)SCCO[Si](C)(C)C(C)(C)C)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Isomeric SMILES

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)SCCO[Si](C)(C)C(C)(C)C)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChI

InChI=1S/C70H129N11O12SSi/c1-30-32-33-47(15)59(94-35-34-93-95(28,29)70(18,19)20)58-63(86)73-50(31-2)65(88)75(21)40-55(82)76(22)51(36-41(3)4)62(85)74-56(45(11)12)68(91)77(23)52(37-42(5)6)61(84)71-48(16)60(83)72-49(17)64(87)78(24)53(38-43(7)8)66(89)79(25)54(39-44(9)10)67(90)80(26)57(46(13)14)69(92)81(58)27/h30,32,41-54,56-59H,31,33-40H2,1-29H3,(H,71,84)(H,72,83)(H,73,86)(H,74,85)/b32-30+/t47-,48+,49-,50+,51+,52+,53+,54+,56+,57+,58+,59-/m1/s1