2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-aminocarbonyloxy-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-21-yl]amino]-N,N-dimethyl-ethanamine oxide

Systemtic Name: 2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-aminocarbonyloxy-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-21-yl]amino]-N,N-dimethyl-ethanamine oxide Openeye Name: 2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]-N,N-dimethyl-ethanamine oxide CAS Name: 2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]-N,N-dimethylethanamine oxide IUPAC Name: 2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]-N,N-dimethylethanamine oxide Traditional Name: 2-[[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]-N,N-dimethyl-ethanamine oxide Formula: C32H48N4O9 MolecularWeight: 632.74492

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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)NCC[N+](C)(C)[O-])C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC[N+](C)(C)[O-])/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C32H48N4O9/c1-18-14-22-27(34-12-13-36(5,6)42)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(43-7)30(45-32(33)41)21(4)16-20(3)28(38)26(15-18)44-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9+,19-10-,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1