(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(isopropylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(isopropylamino)-2-keto-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(=O)CN1C[C@@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O6/c1-14(2)25-21(27)12-26-11-18(16-6-9-19-20(10-16)32-13-31-19)22(24(28)29)23(26)15-4-7-17(30-3)8-5-15/h4-10,14,18,22-23H,11-13H2,1-3H3,(H,25,27)(H,28,29)/t18-,22+,23-/m1/s1