[(2Z,4S,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-9-tert-butyl-4-(dimethylamino)-6-methyl-10,11,12a-tris(oxidanyl)-1,3,12-tris(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] 2-phenylethanoate

Systemtic Name: [(2Z,4S,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-9-tert-butyl-4-(dimethylamino)-6-methyl-10,11,12a-tris(oxidanyl)-1,3,12-tris(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] 2-phenylethanoate Openeye Name: [(2Z,4S,6R,12aS)-2-[amino(hydroxy)methylene]-9-tert-butyl-4-(dimethylamino)-10,11,12a-trihydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(2Z,4S,6R,12aS)-2-[amino(hydroxy)methylidene]-9-tert-butyl-4-(dimethylamino)-10,11,12a-trihydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] ester IUPAC Name: [(2Z,4S,6R,12aS)-2-[amino(hydroxy)methylidene]-9-tert-butyl-4-(dimethylamino)-10,11,12a-trihydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(2Z,4S,6R,12aS)-2-[amino(hydroxy)methylene]-9-tert-butyl-4-(dimethylamino)-10,11,12a-trihydroxy-1,3,12-triketo-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] ester Formula: C34H38N2O9 MolecularWeight: 618.67352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)C(C)(C)C)O)O)N(C)C)OC(=O)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H]1C2C(C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)C(C)(C)C)O)O)N(C)C)OC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H38N2O9/c1-15-17-12-13-18(33(2,3)4)26(38)21(17)27(39)22-20(15)29(45-19(37)14-16-10-8-7-9-11-16)24-25(36(5)6)28(40)23(32(35)43)31(42)34(24,44)30(22)41/h7-13,15,20,24-25,29,38-39,43-44H,14,35H2,1-6H3/b32-23-/t15-,20?,24?,25-,29?,34-/m0/s1