[(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(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-4-[methyl(phenyl)amino]butyl] ethanoate

Systemtic Name: [(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(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-4-[methyl(phenyl)amino]butyl] ethanoate Openeye Name: [(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-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-4-(N-methylanilino)butyl] acetate CAS Name: acetic acid [(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(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-methyl-4-(N-methylanilino)butyl] ester IUPAC Name: [(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(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-methyl-4-(N-methylanilino)butyl] acetate Traditional Name: acetic acid [(1R,2R)-1-[(5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-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-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-4-(N-methylanilino)butyl] ester Formula: C69H118N12O13 MolecularWeight: 1323.74782

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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)CCN(C)C2=CC=CC=C2)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)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(C(=O)N1)[C@@H]([C@H](C)CCN(C)C2=CC=CC=C2)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)C)C)C

InChI

InChI=1S/C69H118N12O13/c1-26-50-65(89)75(19)38-55(83)76(20)51(34-39(2)3)62(86)73-56(43(10)11)68(92)77(21)52(35-40(4)5)61(85)70-46(15)60(84)71-47(16)64(88)78(22)53(36-41(6)7)66(90)79(23)54(37-42(8)9)67(91)80(24)57(44(12)13)69(93)81(25)58(63(87)72-50)59(94-48(17)82)45(14)32-33-74(18)49-30-28-27-29-31-49/h27-31,39-47,50-54,56-59H,26,32-38H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/t45-,46+,47-,50+,51+,52+,53+,54+,56+,57+,58?,59-/m1/s1