tert-butyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]-2-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]-2-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[(4S)-4-benzyl-2-oxo-oxazolidine-3-carbonyl]-2-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[oxo-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]methyl]-2-[2-(1-pyrazolyl)ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-3-[(4S)-4-benzyl-2-keto-oxazolidine-3-carbonyl]-2-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C32H36N4O7 MolecularWeight: 588.65084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1CCN2C=CC=N2)C(=O)N3C(COC3=O)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H]1CCN2C=CC=N2)C(=O)N3[C@H](COC3=O)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H36N4O7/c1-32(2,3)43-30(38)35-18-24(22-10-11-26-27(17-22)42-20-41-26)28(25(35)12-15-34-14-7-13-33-34)29(37)36-23(19-40-31(36)39)16-21-8-5-4-6-9-21/h4-11,13-14,17,23-25,28H,12,15-16,18-20H2,1-3H3/t23-,24+,25-,28+/m0/s1