5,11-dimethyl-N-[6-[2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]hexyl]-6H-pyrido[4,3-b]carbazole-9-carboxamide

Systemtic Name: 5,11-dimethyl-N-[6-[2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]hexyl]-6H-pyrido[4,3-b]carbazole-9-carboxamide Openeye Name: N-[6-[[2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]hexyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carboxamide CAS Name: N-[6-[[2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]hexyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carboxamide IUPAC Name: N-[6-[[2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]hexyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carboxamide Traditional Name: N-[6-[[2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]hexyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carboxamide Formula: C44H52N4O4 MolecularWeight: 700.90808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=CN=C3)C)C4=C(N2)C=CC(=C4)C(=O)NCCCCCCNC(=O)CC5(CCC6C5(CCC7C6CCC8=C7C=CC(=C8)O)C)O

Isomeric SMILES

CC1=C2C(=C(C3=C1C=CN=C3)C)C4=C(N2)C=CC(=C4)C(=O)NCCCCCCNC(=O)C[C@@]5(CC[C@@H]6[C@@]5(CC[C@H]7[C@H]6CCC8=C7C=CC(=C8)O)C)O

InChI

InChI=1S/C44H52N4O4/c1-26-36-25-45-21-16-31(36)27(2)41-40(26)35-23-29(9-13-38(35)48-41)42(51)47-20-7-5-4-6-19-46-39(50)24-44(52)18-15-37-34-11-8-28-22-30(49)10-12-32(28)33(34)14-17-43(37,44)3/h9-10,12-13,16,21-23,25,33-34,37,48-49,52H,4-8,11,14-15,17-20,24H2,1-3H3,(H,46,50)(H,47,51)/t33-,34-,37+,43+,44-/m1/s1