[(6R,7R,8E,10R,11R,12Z,14E)-10-aminocarbonyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 4-azanylbutanoate

Systemtic Name: [(6R,7R,8E,10R,11R,12Z,14E)-10-aminocarbonyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 4-azanylbutanoate Openeye Name: [(6R,7R,8E,10R,11R,12Z,14E)-21-(allylamino)-10-carbamoyloxy-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-6-yl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [(6R,7R,8E,10R,11R,12Z,14E)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] ester IUPAC Name: [(6R,7R,8E,10R,11R,12Z,14E)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [(6R,7R,8E,10R,11R,12Z,14E)-21-(allylamino)-10-carbamoyloxy-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-6-yl] ester Formula: C35H50N4O9 MolecularWeight: 670.7929

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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=C)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC

Isomeric SMILES

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

InChI

InChI=1S/C35H50N4O9/c1-8-15-38-30-24-16-20(2)17-28(46-7)33(47-29(41)13-10-14-36)23(5)18-22(4)32(48-35(37)44)27(45-6)12-9-11-21(3)34(43)39-25(31(24)42)19-26(30)40/h8-9,11-12,18-20,23,27-28,32-33,38H,1,10,13-17,36H2,2-7H3,(H2,37,44)(H,39,43)/b12-9-,21-11+,22-18+/t20?,23-,27-,28?,32-,33-/m1/s1