(2S,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-5-phenyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-5-phenyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-phenyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-5-phenyl-4-(2-pyrazinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-5-phenyl-4-pyrazin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-phenyl-4-pyrazin-2-yl-proline Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C3=CC=CC=C3)C4=NC=CN=C4)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C3=CC=CC=C3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C31H37N3O4/c1-20(2)17-31(29(36)37)18-23(25-19-32-14-15-33-25)27(21-10-8-7-9-11-21)34(31)28(35)22-12-13-24(30(3,4)5)26(16-22)38-6/h7-16,19-20,23,27H,17-18H2,1-6H3,(H,36,37)/t23-,27+,31+/m1/s1