5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-17-ethanoylimino-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]thiophene-2-carboxamide

Systemtic Name: 5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-17-ethanoylimino-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]thiophene-2-carboxamide Openeye Name: 5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-17-acetylimino-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]thiophene-2-carboxamide CAS Name: 5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-17-acetylimino-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-2-thiophenecarboxamide IUPAC Name: 5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-17-acetylimino-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]thiophene-2-carboxamide Traditional Name: 5-[[(E)-[(1S,2R,3R,6R,8R,9R,10R,16S,18R)-17-acetylimino-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-5,7-diketo-2,6,8,10,16,18-hexamethyl-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]thiophene-2-carboxamide Formula: C40H62N4O12S MolecularWeight: 823.00488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=NC(=O)C)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCC4=CC=C(S4)C(=O)N)CO2)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CC=C(S4)C(=O)N)/CO2)C)C)C)(C)O

InChI

InChI=1S/C40H62N4O12S/c1-12-30-40(9,50)35-22(4)31(42-25(7)45)20(2)16-39(8,52-18-26(17-51-35)43-53-19-27-13-14-29(57-27)36(41)48)34(23(5)32(46)24(6)37(49)55-30)56-38-33(47)28(44(10)11)15-21(3)54-38/h13-14,20-24,28,30,33-35,38,47,50H,12,15-19H2,1-11H3,(H2,41,48)/b42-31?,43-26+/t20-,21-,22+,23+,24-,28+,30-,33-,34-,35+,38+,39-,40-/m1/s1