[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[[(3S,4S,5R,6S)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]amino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-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,12Z,14E)-21-[[(3S,4S,5R,6S)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]amino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-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,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[[(3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]-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,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[[(3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]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,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[[(3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-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,12Z,14E)-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[[(3S,4S,5R,6S)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]amino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C34H49N3O13 MolecularWeight: 707.76516

Click to see the large picture

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)NC3C(C(C(OC3O)CO)O)O)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)N[C@H]3[C@@H]([C@H]([C@@H](OC3O)CO)O)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C34H49N3O13/c1-15-10-19-25(37-26-30(43)29(42)24(14-38)49-33(26)45)21(39)13-20(28(19)41)36-32(44)16(2)8-7-9-22(47-5)31(50-34(35)46)18(4)12-17(3)27(40)23(11-15)48-6/h7-9,12-13,15,17,22-24,26-27,29-31,33,37-38,40,42-43,45H,10-11,14H2,1-6H3,(H2,35,46)(H,36,44)/b9-7-,16-8+,18-12+/t15-,17+,22+,23+,24+,26+,27-,29+,30+,31+,33?/m1/s1