N-[(2S)-1-[4-(dimethylsulfamoyl)phenyl]-3-fluoranyl-propan-2-yl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-13-[(2R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]propanamide

Systemtic Name: N-[(2S)-1-[4-(dimethylsulfamoyl)phenyl]-3-fluoranyl-propan-2-yl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-13-[(2R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]propanamide Openeye Name: N-[(1S)-1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-fluoro-ethyl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]propanamide CAS Name: N-[(2S)-1-[4-(dimethylsulfamoyl)phenyl]-3-fluoropropan-2-yl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl]-methylamino]propanamide IUPAC Name: N-[(2S)-1-[4-(dimethylsulfamoyl)phenyl]-3-fluoropropan-2-yl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]propanamide Traditional Name: N-[(1S)-1-[4-(dimethylsulfamoyl)benzyl]-2-fluoro-ethyl]-3-[[(2S,3R,4S,6R)-2-[[(2R,4R,5R,8R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]propionamide Formula: C51H89FN4O15S MolecularWeight: 1049.333563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCC(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)N(C)C)CF)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1C([C@@H]([C@H](N(C[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2CC([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CCC(=O)N[C@@H](CC4=CC=C(C=C4)S(=O)(=O)N(C)C)CF)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C51H89FN4O15S/c1-16-39-51(10,63)44(59)33(6)56(14)28-29(2)25-49(8,62)46(31(4)43(32(5)47(61)69-39)70-41-26-50(9,66-15)45(60)34(7)68-41)71-48-42(58)38(23-30(3)67-48)55(13)22-21-40(57)53-36(27-52)24-35-17-19-37(20-18-35)72(64,65)54(11)12/h17-20,29-34,36,38-39,41-46,48,58-60,62-63H,16,21-28H2,1-15H3,(H,53,57)/t29-,30-,31+,32-,33-,34+,36+,38+,39-,41+,42-,43+,44-,45+,46-,48+,49?,50?,51?/m1/s1