[(3R,5S,6R,8E,10S,12Z,14E)-21-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypentylamino]-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-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypentylamino]-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-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentylamino]-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-[5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentylamino]-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-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-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-[5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxypentylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C39H59N3O14 MolecularWeight: 793.89746

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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)NCCCCCOC3C(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)NCCCCCOC3C(C(C(C(O3)CO)O)O)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C39H59N3O14/c1-20-15-24-30(41-13-8-7-9-14-54-38-35(49)34(48)33(47)29(19-43)55-38)26(44)18-25(32(24)46)42-37(50)21(2)11-10-12-27(52-5)36(56-39(40)51)23(4)17-22(3)31(45)28(16-20)53-6/h10-12,17-18,20,22,27-29,31,33-36,38,41,43,45,47-49H,7-9,13-16,19H2,1-6H3,(H2,40,51)(H,42,50)/b12-10-,21-11+,23-17+/t20-,22?,27?,28+,29?,31-,33?,34?,35?,36+,38?/m1/s1