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

Systemtic Name: propan-2-yl 2-[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-4,7,10,13,19,22,28,32-octamethyl-14-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]ethoxy]ethanoate Openeye Name: isopropyl 2-[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-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]methoxy]ethoxy]acetate CAS Name: 2-[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]ethoxy]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]ethoxy]acetate Traditional Name: 2-[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,8,23,29-tetraisobutyl-11,26-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-4,7,10,13,19,22,28,32-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]ethoxy]acetic acid isopropyl ester Formula: C69H123N11O16 MolecularWeight: 1362.77902

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

InChI

InChI=1S/C69H123N11O16/c1-26-28-29-46(17)59(83)58-63(87)71-48(27-2)64(88)74(19)36-54(81)75(20)50(32-39(3)4)62(86)73-56(43(11)12)68(92)76(21)51(33-40(5)6)61(85)70-47(18)60(84)72-49(37-94-30-31-95-38-55(82)96-45(15)16)65(89)77(22)52(34-41(7)8)66(90)78(23)53(35-42(9)10)67(91)79(24)57(44(13)14)69(93)80(58)25/h26,28,39-53,56-59,83H,27,29-38H2,1-25H3,(H,70,85)(H,71,87)(H,72,84)(H,73,86)/b28-26+/t46-,47+,48+,49-,50+,51+,52+,53+,56+,57+,58+,59-/m1/s1