N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(2R,4R,5S,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]sulfanyl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(2R,4R,5S,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]sulfanyl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]sulfanyl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-9-[[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]thio]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]sulfanyl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-[[(4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecan-17-yl]thio]ethyl]picolinamide Formula: C48H77N3O14S MolecularWeight: 952.20168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)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)OC)C)C)C(C(=O)O2)SCCNC(=O)C5=CC=CC=N5)C

Isomeric SMILES

CC[C@@H]1[C@@]2(C(C(C(=O)[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)OC)C)C)C(C(=O)O2)SCCNC(=O)C5=CC=CC=N5)C

InChI

InChI=1S/C48H77N3O14S/c1-15-33-48(10)35(39(44(57)65-48)66-21-20-50-42(55)31-18-16-17-19-49-31)27(4)36(52)25(2)23-47(9,59-14)41(64-45-37(53)32(51(11)12)22-26(3)60-45)28(5)38(29(6)43(56)62-33)63-34-24-46(8,58-13)40(54)30(7)61-34/h16-19,25-30,32-35,37-41,45,53-54H,15,20-24H2,1-14H3,(H,50,55)/t25-,26-,27?,28+,29-,30-,32+,33-,34+,35?,37-,38+,39?,40+,41-,45+,46-,47-,48-/m1/s1