4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]isoxazol-3-yl]benzonitrile CAS Name: 4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-3-isoxazolyl]benzonitrile IUPAC Name: 4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-1,2-oxazol-3-yl]benzonitrile Traditional Name: 4-[5-[3-[[(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,9,11,16-tetraketo-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]isoxazol-3-yl]benzonitrile Formula: C43H57N5O10 MolecularWeight: 803.94018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC=C(C=C5)C#N)C)C)NC(=O)N2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[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)(C)OCC#CC4=CC(=NO4)C5=CC=C(C=C5)C#N)C)C)NC(=O)N2)C

InChI

InChI=1S/C43H57N5O10/c1-11-33-43(8)37(45-41(53)46-43)25(4)34(49)23(2)21-42(7,54-18-12-13-30-20-31(47-58-30)29-16-14-28(22-44)15-17-29)38(26(5)35(50)27(6)39(52)56-33)57-40-36(51)32(48(9)10)19-24(3)55-40/h14-17,20,23-27,32-33,36-38,40,51H,11,18-19,21H2,1-10H3,(H2,45,46,53)/t23-,24-,25+,26+,27-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1