N-[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromanyl-butanamide

Systemtic Name: N-[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromanyl-butanamide Openeye Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromo-butanamide CAS Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromobutanamide IUPAC Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromobutanamide Traditional Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-bromo-butyramide Formula: C27H33BrN4O8 MolecularWeight: 621.47692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NC(=O)CCCBr)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)[C@H]1C2CC3CC4=C(C(=C(C=C4N(C)C)NC(=O)CCCBr)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O

InChI

InChI=1S/C27H33BrN4O8/c1-31(2)15-10-14(30-16(33)6-5-7-28)21(34)18-12(15)8-11-9-13-20(32(3)4)23(36)19(26(29)39)25(38)27(13,40)24(37)17(11)22(18)35/h10-11,13,20,34-35,39-40H,5-9,29H2,1-4H3,(H,30,33)/b26-19-/t11?,13?,20-,27-/m0/s1