[(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,5,8,10,12,14-hexamethyl-3,10,11,13-tetrakis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-4-yl] N-[2-[[(9R,10S,11S,13S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]carbonylamino]ethyl]carbamate

Systemtic Name: [(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,5,8,10,12,14-hexamethyl-3,10,11,13-tetrakis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-4-yl] N-[2-[[(9R,10S,11S,13S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]carbonylamino]ethyl]carbamate Openeye Name: [(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10,11,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl] N-[2-[[(9R,10S,11S,13S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonyl]amino]ethyl]carbamate CAS Name: N-[2-[[[(9R,10S,11S,13S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-oxomethyl]amino]ethyl]carbamic acid [(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10,11,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl] ester IUPAC Name: [(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10,11,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl] N-[2-[[(9R,10S,11S,13S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonyl]amino]ethyl]carbamate Traditional Name: N-[2-[[(9R,10S,11S,13S,16R,17S)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonyl]amino]ethyl]carbamic acid [(2R,3R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,10,11,13-tetrahydroxy-15-keto-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-4-yl] ester Formula: C45H72FN3O11 MolecularWeight: 850.065083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(NCC(CC(C(C(C(C(C(=O)O1)C)O)C)O)(C)O)C)C)OC(=O)NCCNC(=O)C2C(CC3C2(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@](C([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)C)OC(=O)NCCNC(=O)[C@H]2[C@@H](CC3[C@@]2(C[C@@H]([C@]4(C3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C)(C)O

InChI

InChI=1S/C45H72FN3O11/c1-11-33-44(10,58)37(27(6)49-22-23(2)20-43(9,57)36(53)25(4)35(52)26(5)39(55)59-33)60-40(56)48-17-16-47-38(54)34-24(3)18-31-30-13-12-28-19-29(50)14-15-42(28,8)45(30,46)32(51)21-41(31,34)7/h14-15,19,23-27,30-37,49,51-53,57-58H,11-13,16-18,20-22H2,1-10H3,(H,47,54)(H,48,56)/t23-,24-,25+,26-,27-,30?,31?,32+,33-,34-,35+,36-,37?,41+,42+,43-,44-,45+/m1/s1