[(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-2,3,5,7,9,11,15-heptamethyl-7-oxidanyl-12,17-bis(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]carbamate

Systemtic Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-2,3,5,7,9,11,15-heptamethyl-7-oxidanyl-12,17-bis(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]carbamate Openeye Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] N-[(E)-[1-methyl-2-(2-thienyl)ethylidene]amino]carbamate CAS Name: N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]carbamic acid [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7-hydroxy-2,3,5,7,9,11,15-heptamethyl-12,17-dioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]carbamate Traditional Name: N-[(E)-[1-methyl-2-(2-thienyl)ethylidene]amino]carbamic acid [(2S,4R,6R)-6-[[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7-hydroxy-12,17-diketo-2,3,5,7,9,11,15-heptamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C47H78N4O14S MolecularWeight: 955.20562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NN=C(C)CC4=CC=CS4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([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]3C[C@@](C([C@@H](O3)C)OC(=O)N/N=C(\C)/CC4=CC=CS4)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

InChI

InChI=1S/C47H78N4O14S/c1-16-34-47(11)39(64-44(55)65-47)30(7)51(14)24-25(2)22-45(9,56)38(62-42-36(52)33(50(12)13)21-27(4)58-42)28(5)37(29(6)41(53)60-34)61-35-23-46(10,57-15)40(31(8)59-35)63-43(54)49-48-26(3)20-32-18-17-19-66-32/h17-19,25,27-31,33-40,42,52,56H,16,20-24H2,1-15H3,(H,49,54)/b48-26+/t25-,27-,28+,29-,30-,31+,33+,34-,35+,36-,37+,38-,39-,40?,42+,45-,46-,47-/m1/s1