[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-17,26,29-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] ethanoate

Systemtic Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-17,26,29-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] ethanoate Openeye Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-17,26,29-triisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] acetate CAS Name: acetic acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-17,26,29-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] ester IUPAC Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-17,26,29-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate Traditional Name: acetic acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-17,26,29-triisobutyl-14,32-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-1,7,10,16,20,23,25,28,31-nonamethyl-11-(2-methylbutyl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] ester Formula: C65H115N11O13 MolecularWeight: 1258.6745

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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)OC(=O)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)CC)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)OC(=O)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)CC)C)C

InChI

InChI=1S/C65H115N11O13/c1-26-29-30-42(15)55(89-45(18)77)54-59(82)68-46(28-3)61(84)70(19)35-51(78)71(20)48(34-41(14)27-2)58(81)69-52(39(10)11)64(87)72(21)47(31-36(4)5)57(80)66-43(16)56(79)67-44(17)60(83)73(22)49(32-37(6)7)62(85)74(23)50(33-38(8)9)63(86)75(24)53(40(12)13)65(88)76(54)25/h26,29,36-44,46-50,52-55H,27-28,30-35H2,1-25H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)/b29-26+/t41?,42-,43+,44-,46+,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1