[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-21-[2-(azetidin-1-yl)ethylamino]-5,6,11-trimethoxy-3,7,9,15-tetramethyl-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,7S,8E,10S,11S,12E,14Z)-21-[2-(azetidin-1-yl)ethylamino]-5,6,11-trimethoxy-3,7,9,15-tetramethyl-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,7S,8E,10S,11S,12E,14Z)-21-[2-(azetidin-1-yl)ethylamino]-5,6,11-trimethoxy-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)-21-[2-(1-azetidinyl)ethylamino]-5,6,11-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-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)-21-[2-(azetidin-1-yl)ethylamino]-5,6,11-trimethoxy-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 Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-21-[2-(azetidin-1-yl)ethylamino]-16,20,22-triketo-5,6,11-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C34H50N4O8 MolecularWeight: 642.7828

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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)NCCN3CCC3)C)OC)OC(=O)N)C)C)OC)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)NCCN3CCC3)/C)OC)OC(=O)N)\C)C)OC)OC

InChI

InChI=1S/C34H50N4O8/c1-20-16-24-29(36-12-15-38-13-9-14-38)26(39)19-25(30(24)40)37-33(41)21(2)10-8-11-27(43-5)32(46-34(35)42)23(4)18-22(3)31(45-7)28(17-20)44-6/h8,10-11,18-20,22,27-28,31-32,36H,9,12-17H2,1-7H3,(H2,35,42)(H,37,41)/b11-8+,21-10-,23-18+/t20-,22+,27+,28+,31-,32+/m1/s1