ethyl 6-[3-[4-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-4-methoxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propyl]piperazin-1-yl]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-[3-[4-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-4-methoxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propyl]piperazin-1-yl]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-[3-[4-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-4-methoxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-oxo-propyl]piperazin-1-yl]propyl]-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-[3-[4-[3-[[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,10-dihydroxy-4-methoxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy]-3-oxopropyl]-1-piperazinyl]propyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[4-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-4-methoxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxy-3-oxopropyl]piperazin-1-yl]propyl]-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-[3-[4-[3-[(2S,3S,4R,6R)-6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-15-keto-4-methoxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-keto-propyl]piperazino]propyl]-1-ethyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C63H105N5O16 MolecularWeight: 1188.5317

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CCN3CCN(CC3)CCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)OCC)CC)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)(C)O)C)C)C)OC)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CCN3CCN(CC3)CCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)OCC)CC)(C)OC)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)O)C)C)C)OC)(C)O

InChI

InChI=1S/C63H105N5O16/c1-18-49-63(12,75)56(76-16)42(8)65(15)36-38(4)34-61(10,74)55(84-60-53(71)48(64(13)14)32-39(5)79-60)40(6)54(41(7)58(72)81-49)83-51-35-62(11,77-17)57(43(9)80-51)82-50(69)25-27-67-30-28-66(29-31-67)26-21-22-44-23-24-47-45(33-44)52(70)46(37-68(47)19-2)59(73)78-20-3/h23-24,33,37-43,48-49,51,53-57,60,71,74-75H,18-22,25-32,34-36H2,1-17H3/t38-,39-,40+,41-,42-,43+,48+,49-,51+,53-,54+,55-,56-,57+,60+,61-,62-,63-/m1/s1