2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-38-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]ethanamide

Systemtic Name: 2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-38-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]ethanamide Openeye Name: 2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-23,27,29,31,33,35,37-heptahydroxy-38-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]acetamide CAS Name: 2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-23,27,29,31,33,35,37-heptahydroxy-38-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-3,5-dihydroxy-6-methyl-4-oxanyl]acetamide IUPAC Name: 2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-23,27,29,31,33,35,37-heptahydroxy-38-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]acetamide Traditional Name: 2-(dimethylamino)-N-[(2R,3S,4S,5S,6R)-2-[[(4E,6E,8E,10E,12E,14E,16E)-23,27,29,31,33,35,37-heptahydroxy-38-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-19-[4-hydroxy-6-keto-1-methyl-6-[4-(methylamino)phenyl]hexyl]-21,25-diketo-18-methyl-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-3-yl]oxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]acetamide Formula: C69H105N5O20 MolecularWeight: 1324.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)N4CCN(CC4)CCO)OC5C(C(C(C(O5)C)O)NC(=O)CN(C)C)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)N5CCN(CC5)CCO)O)NC(=O)CN(C)C)O

InChI

InChI=1S/C69H105N5O20/c1-44-19-17-15-13-11-9-7-8-10-12-14-16-18-20-56(92-68-65(88)63(64(87)46(3)91-68)71-60(85)43-72(5)6)40-59-62(67(89)74-29-27-73(28-30-74)31-32-75)58(84)42-69(90,94-59)41-55(82)37-53(80)35-51(78)33-50(77)34-52(79)36-54(81)39-61(86)93-66(44)45(2)21-26-49(76)38-57(83)47-22-24-48(70-4)25-23-47/h7-20,22-25,44-46,49-51,53-56,58-59,62-66,68,70,75-78,80-82,84,87-88,90H,21,26-43H2,1-6H3,(H,71,85)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t44?,45?,46-,49?,50?,51?,53?,54?,55?,56?,58?,59?,62?,63+,64-,65+,66?,68+,69?/m1/s1