[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetyloxy-2-methyl-hex-4-enyl]-17-ethyl-4,7,10,13,16,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,27,30,33-decakis(oxidanylidene)-11,26-di(propan-2-yl)-24-sulfanylidene-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ethanoate

Systemtic Name: [(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetyloxy-2-methyl-hex-4-enyl]-17-ethyl-4,7,10,13,16,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,27,30,33-decakis(oxidanylidene)-11,26-di(propan-2-yl)-24-sulfanylidene-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ethanoate Openeye Name: [(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetoxy-2-methyl-hex-4-enyl]-17-ethyl-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,16,19,22,28,32-nonamethyl-3,6,9,12,15,18,21,27,30,33-decaoxo-24-thioxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl acetate CAS Name: acetic acid [(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetyloxy-2-methylhex-4-enyl]-17-ethyl-4,7,10,13,16,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,27,30,33-decaoxo-11,26-di(propan-2-yl)-24-sulfanylidene-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester IUPAC Name: [(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetyloxy-2-methylhex-4-enyl]-17-ethyl-4,7,10,13,16,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,27,30,33-decaoxo-11,26-di(propan-2-yl)-24-sulfanylidene-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl acetate Traditional Name: acetic acid [(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-14-[(E,1R,2R)-1-acetoxy-2-methyl-hex-4-enyl]-17-ethyl-5,8,23,29-tetraisobutyl-11,26-diisopropyl-3,6,9,12,15,18,21,27,30,33-decaketo-4,7,10,13,16,19,22,28,32-nonamethyl-24-thioxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester Formula: C67H117N11O14S MolecularWeight: 1332.77618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=O)N(C(C(=S)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)N1C)C(C(C)CC=CC)OC(=O)C)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COC(=O)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(=S)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)N1C)[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)COC(=O)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChI

InChI=1S/C67H117N11O14S/c1-27-29-30-43(15)57(92-46(18)80)56-67(90)73(21)48(28-2)62(85)71(19)35-53(81)72(20)50(32-38(5)6)60(93)70-54(41(11)12)65(88)74(22)49(31-37(3)4)59(83)68-44(16)58(82)69-47(36-91-45(17)79)61(84)75(23)51(33-39(7)8)63(86)76(24)52(34-40(9)10)64(87)77(25)55(42(13)14)66(89)78(56)26/h27,29,37-44,47-52,54-57H,28,30-36H2,1-26H3,(H,68,83)(H,69,82)(H,70,93)/b29-27+/t43-,44+,47-,48+,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1