[(3R,5S,6S,7S,8E,10S,11S,14E)-6-fluoranyl-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] carbamate

Systemtic Name: [(3R,5S,6S,7S,8E,10S,11S,14E)-6-fluoranyl-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] carbamate Openeye Name: [(3R,5S,6S,7S,8E,10S,11S,14E)-21-(allylamino)-6-fluoro-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6S,7S,8E,10S,11S,14E)-6-fluoro-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] ester IUPAC Name: [(3R,5S,6S,7S,8E,10S,11S,14E)-6-fluoro-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6S,7S,8E,10S,11S,14E)-21-(allylamino)-6-fluoro-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] ester Formula: C31H44FN3O7 MolecularWeight: 589.695363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(CCC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)F)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)\C)OC)OC(=O)N)\C)C)F)OC

InChI

InChI=1S/C31H44FN3O7/c1-8-12-34-27-21-13-17(2)14-25(41-7)26(32)19(4)15-20(5)29(42-31(33)39)24(40-6)11-9-10-18(3)30(38)35-22(28(21)37)16-23(27)36/h8,10,15-17,19,24-26,29,34H,1,9,11-14H2,2-7H3,(H2,33,39)(H,35,38)/b18-10+,20-15+/t17-,19+,24+,25+,26+,29+/m1/s1