[(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-[2-(2-methylbut-3-enoylamino)ethyl]carbamate

Systemtic Name: [(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-[2-(2-methylbut-3-enoylamino)ethyl]carbamate Openeye Name: [(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-[2-(2-methylbut-3-enoylamino)ethyl]carbamate CAS Name: N-[2-[(2-methyl-1-oxobut-3-enyl)amino]ethyl]carbamic acid [(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] N-[2-(2-methylbut-3-enoylamino)ethyl]carbamate Traditional Name: N-[2-(2-methylbut-3-enoylamino)ethyl]carbamic acid [(1R,2R,4R,6S,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C39H66N4O12 MolecularWeight: 782.96094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCNC(=O)C(C)C=C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)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@@H]([C@H](C(=O)O1)C)OC(=O)NCCNC(=O)C(C)C=C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C39H66N4O12/c1-14-20(3)33(46)40-16-17-41-36(48)53-30-24(7)32(54-35-29(45)26(43(11)12)18-22(5)51-35)38(9,50-13)19-21(4)28(44)23(6)31-39(10,55-37(49)42-31)27(15-2)52-34(47)25(30)8/h14,20-27,29-32,35,45H,1,15-19H2,2-13H3,(H,40,46)(H,41,48)(H,42,49)/t20?,21-,22-,23+,24+,25-,26+,27-,29-,30+,31-,32-,35+,38+,39-/m1/s1