(4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-9-[(2-methylpropylamino)methyl]-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-9-[(2-methylpropylamino)methyl]-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-10,12a-dihydroxy-9-[(isobutylamino)methyl]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-10,12a-dihydroxy-9-[(2-methylpropylamino)methyl]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-10,12a-dihydroxy-9-[(2-methylpropylamino)methyl]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4R,4aR,5aS,12aR)-4-(dimethylamino)-7-ethyl-10,12a-dihydroxy-9-[(isobutylamino)methyl]-1,3,11,12-tetraketo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C28H37N3O7 MolecularWeight: 527.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1CC3CC4C(C(=O)C(C(=O)C4(C(=O)C3C2=O)O)C(=O)N)N(C)C)O)CNCC(C)C

Isomeric SMILES

CCC1=CC(=C(C2=C1C[C@@H]3C[C@@H]4[C@H](C(=O)C(C(=O)[C@@]4(C(=O)C3C2=O)O)C(=O)N)N(C)C)O)CNCC(C)C

InChI

InChI=1S/C28H37N3O7/c1-6-13-7-15(11-30-10-12(2)3)22(32)19-16(13)8-14-9-17-21(31(4)5)24(34)20(27(29)37)26(36)28(17,38)25(35)18(14)23(19)33/h7,12,14,17-18,20-21,30,32,38H,6,8-11H2,1-5H3,(H2,29,37)/t14-,17-,18?,20?,21-,28-/m1/s1