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

Systemtic Name: (2S,4S,5R)-1-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-2-(2-methylpropyl)-4-pyrazin-2-yl-5-pyridin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-1-(3-bromo-4-tert-butyl-benzoyl)-2-isobutyl-4-pyrazin-2-yl-5-(2-pyridyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(3-bromo-4-tert-butylphenyl)-oxomethyl]-2-(2-methylpropyl)-4-(2-pyrazinyl)-5-(2-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(3-bromo-4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-pyridin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-1-(3-bromo-4-tert-butyl-benzoyl)-2-isobutyl-4-pyrazin-2-yl-5-(2-pyridyl)proline Formula: C29H33BrN4O3 MolecularWeight: 565.50132

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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)Br)C3=CC=CC=N3)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)Br)C3=CC=CC=N3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C29H33BrN4O3/c1-18(2)15-29(27(36)37)16-20(24-17-31-12-13-33-24)25(23-8-6-7-11-32-23)34(29)26(35)19-9-10-21(22(30)14-19)28(3,4)5/h6-14,17-18,20,25H,15-16H2,1-5H3,(H,36,37)/t20-,25-,29+/m1/s1