quinolin-7-ylmethyl N-[[(1R,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-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamate

Systemtic Name: quinolin-7-ylmethyl N-[[(1R,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-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamate Openeye Name: 7-quinolylmethyl N-[[(1R,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-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamate CAS Name: N-[[(1R,2R,4R,6R,7R,8R,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-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamic acid 7-quinolinylmethyl ester IUPAC Name: quinolin-7-ylmethyl N-[[(1R,2R,4R,6R,7R,8R,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-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamate Traditional Name: N-[[(1R,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-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]methyl]carbamic acid 7-quinolylmethyl ester Formula: C43H62N4O12 MolecularWeight: 826.97198

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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)C)C)N(C(=O)O2)CNC(=O)OCC4=CC5=C(C=CC=N5)C=C4)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)C)C)N(C(=O)O2)CNC(=O)OCC4=CC5=C(C=CC=N5)C=C4)C

InChI

InChI=1S/C43H62N4O12/c1-12-32-43(8)36(47(41(53)59-43)22-45-40(52)55-21-28-15-16-29-14-13-17-44-30(29)19-28)25(4)33(48)23(2)20-42(7,54-11)37(26(5)34(49)27(6)38(51)57-32)58-39-35(50)31(46(9)10)18-24(3)56-39/h13-17,19,23-27,31-32,35-37,39,50H,12,18,20-22H2,1-11H3,(H,45,52)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,42-,43-/m1/s1