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

Systemtic Name: (2R,4aR,8aR)-N-tert-butyl-1-[[(2R,4R,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[[(4-phenoxyphenyl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Openeye Name: (2R,4aR,8aR)-N-tert-butyl-1-[[(2R,4R,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[[(4-phenoxyphenyl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide CAS Name: (2R,4aR,8aR)-N-tert-butyl-1-[[(2R,4R,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[[[oxo-(4-phenoxyanilino)methyl]amino]methyl]phenyl]-1,3-dioxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide IUPAC Name: (2R,4aR,8aR)-N-tert-butyl-1-[[(2R,4R,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[[(4-phenoxyphenyl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Traditional Name: (2R,4aR,8aR)-N-tert-butyl-1-[[(2R,4R,6S)-6-(4-methylolphenyl)-2-[4-[[(4-phenoxyphenyl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxamide Formula: C46H56N4O6 MolecularWeight: 760.96004

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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)NC5=CC=C(C=C5)OC6=CC=CC=C6)C7=CC=C(C=C7)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)NC5=CC=C(C=C5)OC6=CC=CC=C6)C7=CC=C(C=C7)CO

InChI

InChI=1S/C46H56N4O6/c1-46(2,3)49-43(52)41-26-21-33-9-7-8-12-40(33)50(41)29-39-27-42(34-17-15-32(30-51)16-18-34)56-44(55-39)35-19-13-31(14-20-35)28-47-45(53)48-36-22-24-38(25-23-36)54-37-10-5-4-6-11-37/h4-6,10-11,13-20,22-25,33,39-42,44,51H,7-9,12,21,26-30H2,1-3H3,(H,49,52)(H2,47,48,53)/t33-,39-,40-,41-,42+,44+/m1/s1