(2Z,4S,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-9-(3-methylbutylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4S,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-9-(3-methylbutylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(isopentylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(3-methylbutylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(3-methylbutylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(isoamylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C28H38N4O7 MolecularWeight: 542.62392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C2=C(CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O

Isomeric SMILES

CC(C)CCNC1=C(C2=C(CC3CC4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O

InChI

InChI=1S/C28H38N4O7/c1-12(2)7-8-30-16-11-17(31(3)4)14-9-13-10-15-21(32(5)6)24(35)20(27(29)38)26(37)28(15,39)25(36)18(13)23(34)19(14)22(16)33/h11-13,15,21,30,33-34,38-39H,7-10,29H2,1-6H3/b27-20-/t13?,15?,21-,28-/m0/s1