[(1R,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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] 4,4-dimethyl-2-oxidanylidene-1,3-oxazolidine-3-carboxylate

Systemtic Name: [(1R,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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] 4,4-dimethyl-2-oxidanylidene-1,3-oxazolidine-3-carboxylate Openeye Name: [(1R,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 4,4-dimethyl-2-oxo-oxazolidine-3-carboxylate CAS Name: 4,4-dimethyl-2-oxo-3-oxazolidinecarboxylic acid [(1R,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-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,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] 4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carboxylate Traditional Name: 2-keto-4,4-dimethyl-oxazolidine-3-carboxylic acid [(1R,2S,4R,6S,7R,8S,9S,10R,13S,14S)-17-[2-(4-chlorophenyl)ethyl]-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-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: C46H70ClN3O13 MolecularWeight: 908.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)N3C(=O)OCC3(C)C)C)OC4C(C(CC(O4)C)N(C)CC)O)(C)OC)C)C)N(C(=O)O2)CCC5=CC=C(C=C5)Cl)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)N3C(=O)OCC3(C)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)(C)OC)C)C)N(C(=O)O2)CCC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C46H70ClN3O13/c1-14-33-46(11)37(49(41(54)63-46)21-20-30-16-18-31(47)19-17-30)27(5)34(51)25(3)23-45(10,57-13)38(62-40-35(52)32(48(12)15-2)22-26(4)59-40)28(6)36(29(7)39(53)60-33)61-43(56)50-42(55)58-24-44(50,8)9/h16-19,25-29,32-33,35-38,40,52H,14-15,20-24H2,1-13H3/t25-,26-,27-,28+,29-,32+,33+,35-,36+,37-,38-,40+,45+,46-/m1/s1