[(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-methoxyimino-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-17-[3-(4-pyridin-3-ylimidazol-1-yl)propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-prop-2-enylcarbamate

Systemtic Name: [(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-methoxyimino-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-17-[3-(4-pyridin-3-ylimidazol-1-yl)propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-prop-2-enylcarbamate Openeye Name: [(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-3-methoxyimino-2,4,6,8,10,14-hexamethyl-11,16-dioxo-17-[3-[4-(3-pyridyl)imidazol-1-yl]propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-allylcarbamate CAS Name: N-prop-2-enylcarbamic acid [(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-3-methoxyimino-2,4,6,8,10,14-hexamethyl-11,16-dioxo-17-[3-[4-(3-pyridinyl)-1-imidazolyl]propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-3-methoxyimino-2,4,6,8,10,14-hexamethyl-11,16-dioxo-17-[3-(4-pyridin-3-ylimidazol-1-yl)propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-prop-2-enylcarbamate Traditional Name: N-allylcarbamic acid [(2S,3E,4R,6S,7R,8S,9S,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,16-diketo-6-methoxy-2,4,6,8,10,14-hexamethyl-3-methyloximino-17-[3-[4-(3-pyridyl)imidazol-1-yl]propylamino]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C47H74N8O11 MolecularWeight: 927.13746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NOC)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCC=C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCN4C=C(N=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC[C@H]1[C@@]2(C([C@@H](/C(=N/OC)/[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)NCC=C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCN4C=C(N=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C47H74N8O11/c1-14-19-49-44(58)64-39-31(6)41(65-43-38(56)35(53(10)11)23-29(4)62-43)46(8,60-12)24-28(3)37(52-61-13)30(5)40-47(9,36(15-2)63-42(57)32(39)7)66-45(59)55(40)51-21-17-22-54-26-34(50-27-54)33-18-16-20-48-25-33/h14,16,18,20,25-32,35-36,38-41,43,51,56H,1,15,17,19,21-24H2,2-13H3,(H,49,58)/b52-37+/t28-,29-,30-,31+,32-,35+,36+,38-,39+,40?,41-,43+,46+,47-/m1/s1