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

Systemtic Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-keto-2-(1-phenylethylamino)ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H30N2O6/c1-18(19-6-4-3-5-7-19)30-26(32)16-31-15-23(21-10-13-24-25(14-21)37-17-36-24)27(29(33)34)28(31)20-8-11-22(35-2)12-9-20/h3-14,18,23,27-28H,15-17H2,1-2H3,(H,30,32)(H,33,34)/t18?,23-,27-,28+/m1/s1