tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[(quinoxalin-2-ylcarbonylamino)methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[(quinoxalin-2-ylcarbonylamino)methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[[oxo(2-quinoxalinyl)methyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[(2R,4R,5S,6S)-5-methyl-6-(4-methylolphenyl)-2-[4-[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C44H48N4O6 MolecularWeight: 728.87512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCCC7C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCC[C@H]7C(=O)OC(C)(C)C

InChI

InChI=1S/C44H48N4O6/c1-28-39(26-48-22-8-13-38(48)42(51)54-44(2,3)4)52-43(53-40(28)32-16-14-29(27-49)15-17-32)33-20-18-31(19-21-33)34-10-7-9-30(23-34)24-46-41(50)37-25-45-35-11-5-6-12-36(35)47-37/h5-7,9-12,14-21,23,25,28,38-40,43,49H,8,13,22,24,26-27H2,1-4H3,(H,46,50)/t28-,38+,39+,40+,43+/m1/s1