N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-azanyl-1,3-thiazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methyl-propanamide

Systemtic Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-azanyl-1,3-thiazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methyl-propanamide Openeye Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-aminothiazol-2-yl)-2-pyridyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methyl-propanamide CAS Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-amino-2-thiazolyl)-2-pyridinyl]methoxyimino]-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methylpropanamide IUPAC Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methylpropanamide Traditional Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(4-aminothiazol-2-yl)-2-pyridyl]methyloximino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-5,7-diketo-2,6,8,10,16,18-hexamethyl-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]-2-methyl-propionamide Formula: C45H67FN6O11S MolecularWeight: 919.110483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=NC(=O)C(C)C)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCC4=NC=C(C=C4)C5=NC(=CS5)N)CO2)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C(C)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=NC=C(C=C4)C5=NC(=CS5)N)/CO2)C)C)C)(C)O

InChI

InChI=1S/C45H67FN6O11S/c1-13-32-45(10,57)38-26(6)34(50-39(55)23(2)3)24(4)17-43(8,59-20-30(19-58-38)51-60-21-29-15-14-28(18-48-29)40-49-33(47)22-64-40)37(27(7)36(54)44(9,46)42(56)62-32)63-41-35(53)31(52(11)12)16-25(5)61-41/h14-15,18,22-27,31-32,35,37-38,41,53,57H,13,16-17,19-21,47H2,1-12H3/b50-34?,51-30+/t24-,25-,26+,27+,31+,32-,35-,37-,38+,41+,43-,44+,45-/m1/s1