methyl N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6,22-bis(oxidanyl)-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamate

Systemtic Name: methyl N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6,22-bis(oxidanyl)-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamate Openeye Name: methyl N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-6,22-dihydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamate CAS Name: N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-6,22-dihydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-6,22-dihydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamate Traditional Name: N-[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-6,22-dihydroxy-16-keto-5,11,21-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl]carbamic acid methyl ester Formula: C31H45N3O10 MolecularWeight: 619.7031

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)OC)NC(=O)OC)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(=C(C(=C2O)C1)OC)NC(=O)OC)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C31H45N3O10/c1-16-12-20-26(36)21(15-22(28(20)42-7)34-31(39)43-8)33-29(37)17(2)10-9-11-23(40-5)27(44-30(32)38)19(4)14-18(3)25(35)24(13-16)41-6/h9-11,14-16,18,23-25,27,35-36H,12-13H2,1-8H3,(H2,32,38)(H,33,37)(H,34,39)/b11-9-,17-10+,19-14+/t16-,18+,23+,24+,25-,27+/m1/s1