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

Systemtic Name: N-[4-[(6aS,8Z,10S,10aS,11aR)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]acetamide CAS Name: N-[4-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]acetamide IUPAC Name: N-[4-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]acetamide Traditional Name: N-[4-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]acetamide Formula: C29H29N3O8 MolecularWeight: 547.55586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C3CC4CC5C(C(=O)C(=C(N)O)C(=O)C5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C

InChI

InChI=1S/C29H29N3O8/c1-12(33)31-15-6-4-13(5-7-15)16-8-9-19(34)21-17(16)10-14-11-18-23(32(2)3)25(36)22(28(30)39)27(38)29(18,40)26(37)20(14)24(21)35/h4-9,14,18,23,34-35,39-40H,10-11,30H2,1-3H3,(H,31,33)/b28-22-/t14-,18-,23-,29-/m0/s1