(2S)-2-[(2R,3R,4R,6S)-5,5-dimethyl-2,3,4-tris(oxidanyl)-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-6-methoxy-5-methyl-7-[(2S,3S,4R,5R)-5-[(1E,3E)-6-methyl-7-oxidanylidene-7-(2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)hepta-1,3-dienyl]-3,4-bis(oxidanyl)oxolan-2-yl]octa-2,4-dienyl]butanamide

Systemtic Name: (2S)-2-[(2R,3R,4R,6S)-5,5-dimethyl-2,3,4-tris(oxidanyl)-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-6-methoxy-5-methyl-7-[(2S,3S,4R,5R)-5-[(1E,3E)-6-methyl-7-oxidanylidene-7-(2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)hepta-1,3-dienyl]-3,4-bis(oxidanyl)oxolan-2-yl]octa-2,4-dienyl]butanamide Openeye Name: (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E)-7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3-dienyl]tetrahydrofuran-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]tetrahydropyran-2-yl]butanamide CAS Name: (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E)-7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3-dienyl]-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-2-oxanyl]butanamide IUPAC Name: (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E)-7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3-dienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide Traditional Name: (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E)-7-(2-hydroxy-4-keto-1H-pyridin-3-yl)-7-keto-6-methyl-hepta-1,3-dienyl]tetrahydrofuran-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]tetrahydropyran-2-yl]butyramide Formula: C43H62N2O12 MolecularWeight: 798.95858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CCC(C)C(=O)C2=C(NC=CC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O

Isomeric SMILES

CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/CC(C)C(=O)C2=C(NC=CC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O

InChI

InChI=1S/C43H62N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-17,19-22,24-25,27-28,30-31,34-39,48-51,54H,10,18,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,26-19+/t25?,27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1