(2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(2-tert-butyl-2-phenyl-hydrazinyl)-2-oxidanylidene-ethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(2-tert-butyl-2-phenyl-hydrazinyl)-2-oxidanylidene-ethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(2-tert-butyl-2-phenyl-hydrazino)-2-oxo-ethyl]-2-[4-(2-isopropoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(2-tert-butyl-2-phenylhydrazinyl)-2-oxoethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(2-tert-butyl-2-phenylhydrazinyl)-2-oxoethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-4-yl)-1-[2-(N'-tert-butyl-N'-phenyl-hydrazino)-2-keto-ethyl]-2-[4-(2-isopropoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Formula: C35H43N3O7 MolecularWeight: 617.73182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCOC1=CC=C(C=C1)C2C(C(CN2CC(=O)NN(C3=CC=CC=C3)C(C)(C)C)C4=C5C(=CC=C4)OCO5)C(=O)O

Isomeric SMILES

CC(C)OCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(=O)NN(C3=CC=CC=C3)C(C)(C)C)C4=C5C(=CC=C4)OCO5)C(=O)O

InChI

InChI=1S/C35H43N3O7/c1-23(2)42-18-19-43-26-16-14-24(15-17-26)32-31(34(40)41)28(27-12-9-13-29-33(27)45-22-44-29)20-37(32)21-30(39)36-38(35(3,4)5)25-10-7-6-8-11-25/h6-17,23,28,31-32H,18-22H2,1-5H3,(H,36,39)(H,40,41)/t28-,31-,32+/m1/s1