(2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide

Systemtic Name: (2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Openeye Name: (2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide CAS Name: (2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide IUPAC Name: (2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Traditional Name: (2R,4aR,8aR)-1-[[(2R,4R,6S)-2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-(4-methylolphenyl)-1,3-dioxan-4-yl]methyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Formula: C44H62N4O5 MolecularWeight: 726.98688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCC2CCCCC2N1CC3CC(OC(O3)C4=CC=C(C=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)C8=CC=C(C=C8)CO

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)C8=CC=C(C=C8)CO

InChI

InChI=1S/C44H62N4O5/c1-43(2,3)46-40(50)38-17-16-33-6-4-5-7-37(33)48(38)26-36-21-39(34-12-10-29(27-49)11-13-34)53-41(52-36)35-14-8-28(9-15-35)25-45-42(51)47-44-22-30-18-31(23-44)20-32(19-30)24-44/h8-15,30-33,36-39,41,49H,4-7,16-27H2,1-3H3,(H,46,50)(H2,45,47,51)/t30?,31?,32?,33-,36-,37-,38-,39+,41+,44?/m1/s1