(4S,12aS)-4-(dimethylamino)-6-methyl-9-[2-(2-methylpropylamino)ethanoylamino]-5,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4S,12aS)-4-(dimethylamino)-6-methyl-9-[2-(2-methylpropylamino)ethanoylamino]-5,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4S,12aS)-4-(dimethylamino)-5,10,12a-trihydroxy-9-[[2-(isobutylamino)acetyl]amino]-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4S,12aS)-4-(dimethylamino)-5,10,12a-trihydroxy-6-methyl-9-[[2-(2-methylpropylamino)-1-oxoethyl]amino]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4S,12aS)-4-(dimethylamino)-5,10,12a-trihydroxy-6-methyl-9-[[2-(2-methylpropylamino)acetyl]amino]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4S,12aS)-4-(dimethylamino)-5,10,12a-trihydroxy-9-[[2-(isobutylamino)acetyl]amino]-1,3,11,12-tetraketo-6-methyl-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C28H36N4O9 MolecularWeight: 572.60684

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C1C=CC(=C4O)NC(=O)CNCC(C)C)O)C(=O)N)N(C)C)O

Isomeric SMILES

CC1C2C(C3[C@@H](C(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C1C=CC(=C4O)NC(=O)CNCC(C)C)O)C(=O)N)N(C)C)O

InChI

InChI=1S/C28H36N4O9/c1-10(2)8-30-9-14(33)31-13-7-6-12-11(3)15-17(22(35)16(12)21(13)34)25(38)28(41)19(23(15)36)20(32(4)5)24(37)18(26(28)39)27(29)40/h6-7,10-11,15,17-20,23,30,34,36,41H,8-9H2,1-5H3,(H2,29,40)(H,31,33)/t11?,15?,17?,18?,19?,20-,23?,28-/m0/s1