tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[(phenylmethyl)carbamoylamino]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-[[(phenylmethyl)carbamoylamino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-[(benzylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-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-[(phenylmethyl)amino]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)-2-[4-[3-[(benzylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-[(benzylcarbamoylamino)methyl]phenyl]phenyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C43H51N3O6 MolecularWeight: 705.88154

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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)NCC5=CC=CC=C5)CN6CCCC6C(=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)NCC5=CC=CC=C5)CN6CCC[C@H]6C(=O)OC(C)(C)C

InChI

InChI=1S/C43H51N3O6/c1-29-38(27-46-23-9-14-37(46)40(48)52-43(2,3)4)50-41(51-39(29)34-17-15-31(28-47)16-18-34)35-21-19-33(20-22-35)36-13-8-12-32(24-36)26-45-42(49)44-25-30-10-6-5-7-11-30/h5-8,10-13,15-22,24,29,37-39,41,47H,9,14,23,25-28H2,1-4H3,(H2,44,45,49)/t29-,37+,38+,39+,41+/m1/s1