[(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

Systemtic Name: [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,8E,10S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,8E,10S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,6R,8E,10S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,8E,10S,12Z,14E)-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[2-[2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxyethoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C38H57N3O15 MolecularWeight: 795.87028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOCCOC3C(C(C(C(O3)CO)O)O)O)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H](C(/C=C(/[C@@H](C(/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOCCOC3C(C(C(C(O3)CO)O)O)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C38H57N3O15/c1-19-14-23-29(40-10-11-53-12-13-54-37-34(48)33(47)32(46)28(18-42)55-37)25(43)17-24(31(23)45)41-36(49)20(2)8-7-9-26(51-5)35(56-38(39)50)22(4)16-21(3)30(44)27(15-19)52-6/h7-9,16-17,19,21,26-28,30,32-35,37,40,42,44,46-48H,10-15,18H2,1-6H3,(H2,39,50)(H,41,49)/b9-7-,20-8+,22-16+/t19-,21?,26?,27+,28?,30-,32?,33?,34?,35+,37?/m1/s1