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

Systemtic Name: [(3R,5S,7S,8E,10S,11S,12Z,14E)-21-[2-[2-[[(3R,5S,7S,8E,10S,11S,12E,14Z)-10-aminocarbonyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetrakis(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]ethylsulfanyl]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetrakis(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,7S,8E,10S,11S,12Z,14E)-21-[2-[2-[[(3R,5S,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]ethylsulfanyl]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,7S,8E,10S,11S,12Z,14E)-21-[2-[2-[[(3R,5S,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]ethylthio]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,7S,8E,10S,11S,12Z,14E)-21-[2-[2-[[(3R,5S,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]ethylsulfanyl]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,16,20,22-tetraoxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,7S,8E,10S,11S,12Z,14E)-21-[2-[2-[[(3R,5S,7S,8E,10S,11S,12E,14Z)-10-carbamoyloxy-6,16,20,22-tetraketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-21-yl]amino]ethylthio]ethylamino]-6,16,20,22-tetraketo-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: C60H80N6O16S MolecularWeight: 1173.3728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCSCCNC3=C4CC(CC(C(=O)C(C=C(C(C(C=CC=C(C(=O)NC(=CC3=O)C4=O)C)OC)OC(=O)N)C)C)OC)C)C)OC)OC(=O)N)C)C)OC

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)[C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCSCCNC3=C4C[C@H](C[C@@H](C(=O)[C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC(=CC3=O)C4=O)/C)OC)OC(=O)N)\C)C)OC)C)/C)OC)OC(=O)N)\C)C)OC

InChI

InChI=1S/C60H80N6O16S/c1-31-23-39-49(43(67)29-41(53(39)71)65-57(73)33(3)15-13-17-45(77-9)55(81-59(61)75)37(7)27-35(5)51(69)47(25-31)79-11)63-19-21-83-22-20-64-50-40-24-32(2)26-48(80-12)52(70)36(6)28-38(8)56(82-60(62)76)46(78-10)18-14-16-34(4)58(74)66-42(54(40)72)30-44(50)68/h13-18,27-32,35-36,45-48,55-56,63-64H,19-26H2,1-12H3,(H2,61,75)(H2,62,76)(H,65,73)(H,66,74)/b17-13-,18-14+,33-15+,34-16-,37-27+,38-28+/t31-,32-,35+,36+,45+,46+,47+,48+,55+,56+/m1/s1