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

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylcarbamoylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-21-(allylcarbamoylamino)-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-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[[oxo-(prop-2-enylamino)methyl]amino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylcarbamoylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-21-(allylcarbamoylamino)-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-10-yl] ester Formula: C32H44N4O9 MolecularWeight: 628.71316

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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)NC(=O)NCC=C)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)NC(=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C32H44N4O9/c1-8-12-34-32(42)36-26-21-13-17(2)14-25(44-7)27(38)19(4)15-20(5)29(45-31(33)41)24(43-6)11-9-10-18(3)30(40)35-22(28(21)39)16-23(26)37/h8-11,15-17,19,24-25,27,29,38H,1,12-14H2,2-7H3,(H2,33,41)(H,35,40)(H2,34,36,42)/b11-9+,18-10-,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1