N-[(9Z)-9-[azanyl(oxidanyl)methylidene]-3-chloranyl-7-(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-phenyl-2-(phenylmethoxyamino)butanamide

Systemtic Name: N-[(9Z)-9-[azanyl(oxidanyl)methylidene]-3-chloranyl-7-(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-phenyl-2-(phenylmethoxyamino)butanamide Openeye Name: N-[(9Z)-9-[amino(hydroxy)methylene]-3-chloro-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(benzyloxyamino)-4-phenyl-butanamide CAS Name: N-[(9Z)-9-[amino(hydroxy)methylidene]-3-chloro-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-phenyl-2-(phenylmethoxyamino)butanamide IUPAC Name: N-[(9Z)-9-[amino(hydroxy)methylidene]-3-chloro-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-4-phenyl-2-(phenylmethoxyamino)butanamide Traditional Name: N-[(9Z)-9-[amino(hydroxy)methylene]-3-chloro-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(benzoxyamino)-4-phenyl-butyramide Formula: C38H39ClN4O9 MolecularWeight: 731.19066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=CC(=C(C(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)NC(=O)C(CCC5=CC=CC=C5)NOCC6=CC=CC=C6)Cl

Isomeric SMILES

CN(C)C1C2CC3CC4=CC(=C(C(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)NC(=O)C(CCC5=CC=CC=C5)NOCC6=CC=CC=C6)Cl

InChI

InChI=1S/C38H39ClN4O9/c1-43(2)30-23-16-21-15-22-17-24(39)29(32(45)26(22)31(44)27(21)34(47)38(23,51)35(48)28(33(30)46)36(40)49)41-37(50)25(14-13-19-9-5-3-6-10-19)42-52-18-20-11-7-4-8-12-20/h3-12,17,21,23,25,30,42,44-45,49,51H,13-16,18,40H2,1-2H3,(H,41,50)/b36-28-