(3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-10-[(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoxy]imino-7-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl(naphthalen-2-ylmethyl)amino]-3-oxidanyl-oxan-2-yl]oxy-12,13-bis(oxidanyl)-1-oxacyclotetradecan-2-one

Systemtic Name: (3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-10-[(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoxy]imino-7-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl(naphthalen-2-ylmethyl)amino]-3-oxidanyl-oxan-2-yl]oxy-12,13-bis(oxidanyl)-1-oxacyclotetradecan-2-one Openeye Name: (3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-[(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoxy]imino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(2-naphthylmethyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one CAS Name: (3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-[(E)-4-[4-(2-hydroxyethyl)-1-piperazinyl]but-2-enoxy]imino-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(2-naphthalenylmethyl)amino]-2-oxanyl]oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one IUPAC Name: (3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-[(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoxy]imino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(naphthalen-2-ylmethyl)amino]oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Traditional Name: (3R,4S,5S,6R,7S,9R,10E,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-10-[(E)-4-[4-(2-hydroxyethyl)piperazino]but-2-enyl]oximino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(2-naphthylmethyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Formula: C58H94N4O14 MolecularWeight: 1071.38536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC=CCN2CCN(CC2)CCO)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)CC5=CC6=CC=CC=C6C=C5)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC/C=C/CN2CCN(CC2)CCO)/[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC5=CC6=CC=CC=C6C=C5)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C58H94N4O14/c1-14-46-58(10,68)51(65)38(4)48(59-71-30-18-17-23-61-24-26-62(27-25-61)28-29-63)36(2)33-57(9,70-13)53(39(5)50(40(6)54(67)74-46)75-47-34-56(8,69-12)52(66)41(7)73-47)76-55-49(64)45(31-37(3)72-55)60(11)35-42-21-22-43-19-15-16-20-44(43)32-42/h15-22,32,36-41,45-47,49-53,55,63-66,68H,14,23-31,33-35H2,1-13H3/b18-17+,59-48+/t36-,37-,38+,39+,40-,41+,45+,46-,47+,49-,50+,51-,52+,53-,55+,56-,57+,58-/m1/s1