[(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3S,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-4,12,17-tris(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] 4-azanylbutanoate

Systemtic Name: [(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3S,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-4,12,17-tris(oxidanylidene)-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] 4-azanylbutanoate Openeye Name: [(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-4,12,17-trioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-4,12,17-trioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] ester IUPAC Name: [(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-4,12,17-trioxo-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-4,12,17-triketo-7-methoxy-2,5,7,9,11,15-hexamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecan-10-yl] ester Formula: C35H61N3O12 MolecularWeight: 715.87174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(NC(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CCCN)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCCN)C)O[C@H]3[C@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C35H61N3O12/c1-12-24-35(8)29(49-33(43)50-35)22(6)37-30(41)18(2)17-34(7,44-11)28(48-32-26(40)23(38(9)10)16-19(3)45-32)20(4)27(21(5)31(42)46-24)47-25(39)14-13-15-36/h18-24,26-29,32,40H,12-17,36H2,1-11H3,(H,37,41)/t18-,19-,20+,21-,22-,23+,24-,26+,27+,28-,29-,32+,34-,35-/m1/s1