tert-butyl N-[(9E)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate

Systemtic Name: tert-butyl N-[(9E)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate Openeye Name: tert-butyl N-[(9E)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate CAS Name: N-[(9E)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(9E)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate Traditional Name: N-[(9E)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,12-trihydroxy-8,10,11-triketo-5-methyl-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamic acid tert-butyl ester Formula: C27H33N3O9 MolecularWeight: 543.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)OC(C)(C)C)O)C(=O)C(=C(N)O)C(=O)C3N(C)C)O

Isomeric SMILES

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)OC(C)(C)C)O)C(=O)/C(=C(/N)\O)/C(=O)C3N(C)C)O

InChI

InChI=1S/C27H33N3O9/c1-9-10-7-8-11(29-26(38)39-27(2,3)4)19(31)13(10)21(33)15-12(9)20(32)14-16(22(15)34)23(35)17(25(28)37)24(36)18(14)30(5)6/h7-9,12,14,16,18,20,31-33,37H,28H2,1-6H3,(H,29,38)/b25-17+