[(1S,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)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] N-[(E)-3-(4-pyrazin-2-ylphenyl)prop-2-enyl]carbamate

Systemtic Name: [(1S,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)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] N-[(E)-3-(4-pyrazin-2-ylphenyl)prop-2-enyl]carbamate Openeye Name: [(1S,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-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] N-[(E)-3-(4-pyrazin-2-ylphenyl)allyl]carbamate CAS Name: N-[(E)-3-[4-(2-pyrazinyl)phenyl]prop-2-enyl]carbamic acid [(1S,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-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] ester IUPAC Name: [(1S,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-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] N-[(E)-3-(4-pyrazin-2-ylphenyl)prop-2-enyl]carbamate Traditional Name: N-[(E)-3-(4-pyrazin-2-ylphenyl)allyl]carbamic acid [(1S,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-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl] ester Formula: C44H61N5O11 MolecularWeight: 835.98204

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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)OC(=O)NCC=CC4=CC=C(C=C4)C5=NC=CN=C5)C)C)NC(=O)O2)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)OC(=O)NC/C=C/C4=CC=C(C=C4)C5=NC=CN=C5)C)C)NC(=O)O2)C

InChI

InChI=1S/C44H61N5O11/c1-11-33-44(8)37(48-42(55)60-44)26(4)34(50)24(2)22-43(7,59-41(54)47-18-12-13-29-14-16-30(17-15-29)31-23-45-19-20-46-31)38(27(5)35(51)28(6)39(53)57-33)58-40-36(52)32(49(9)10)21-25(3)56-40/h12-17,19-20,23-28,32-33,36-38,40,52H,11,18,21-22H2,1-10H3,(H,47,54)(H,48,55)/b13-12+/t24-,25-,26+,27+,28-,32+,33-,36-,37+,38-,40+,43-,44-/m1/s1