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

Systemtic Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-(acetamidomethyl)phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-(acetamidomethyl)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)-2-[4-[3-(acetamidomethyl)phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-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-(acetamidomethyl)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-(acetamidomethyl)phenyl]phenyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C37H46N2O6 MolecularWeight: 614.77094

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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)C)CN5CCCC5C(=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)C)CN5CCC[C@H]5C(=O)OC(C)(C)C

InChI

InChI=1S/C37H46N2O6/c1-24-33(22-39-19-7-10-32(39)35(42)45-37(3,4)5)43-36(44-34(24)29-13-11-26(23-40)12-14-29)30-17-15-28(16-18-30)31-9-6-8-27(20-31)21-38-25(2)41/h6,8-9,11-18,20,24,32-34,36,40H,7,10,19,21-23H2,1-5H3,(H,38,41)/t24-,32+,33+,34+,36+/m1/s1