(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-10-[2-[2-(1,3-thiazol-2-ylmethylamino)ethylamino]ethoxyimino]-1-oxacyclotetradecan-2-one

Systemtic Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-10-[2-[2-(1,3-thiazol-2-ylmethylamino)ethylamino]ethoxyimino]-1-oxacyclotetradecan-2-one Openeye Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[2-[2-(thiazol-2-ylmethylamino)ethylamino]ethoxyimino]-oxacyclotetradecan-2-one CAS Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-10-[2-[2-(2-thiazolylmethylamino)ethylamino]ethoxyimino]-oxacyclotetradecan-2-one IUPAC Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[2-[2-(1,3-thiazol-2-ylmethylamino)ethylamino]ethoxyimino]-oxacyclotetradecan-2-one Traditional Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[2-[2-(thiazol-2-ylmethylamino)ethylamino]ethyloximino]-oxacyclotetradecan-2-one Formula: C45H81N5O13S MolecularWeight: 932.21534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCCNCCNCC2=NC=CS2)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)C)O)(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCCNCCNCC2=NC=CS2)/[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)C)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C45H81N5O13S/c1-14-32-45(10,56)38(52)27(4)35(49-58-19-17-46-15-16-47-24-33-48-18-20-64-33)25(2)22-43(8,55)40(63-42-36(51)31(50(11)12)21-26(3)59-42)28(5)37(29(6)41(54)61-32)62-34-23-44(9,57-13)39(53)30(7)60-34/h18,20,25-32,34,36-40,42,46-47,51-53,55-56H,14-17,19,21-24H2,1-13H3/b49-35+/t25-,26-,27+,28+,29-,30+,31+,32-,34+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1