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

Systemtic Name: (2S,4S,5R)-1-(4-tert-butylphenyl)carbonyl-2-(2-methylpropyl)-5-phenyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-phenyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(4-tert-butylphenyl)-oxomethyl]-2-(2-methylpropyl)-5-phenyl-4-(2-pyrazinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-5-phenyl-4-pyrazin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-phenyl-4-pyrazin-2-yl-proline Formula: C30H35N3O3 MolecularWeight: 485.6172

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

InChI

InChI=1S/C30H35N3O3/c1-20(2)17-30(28(35)36)18-24(25-19-31-15-16-32-25)26(21-9-7-6-8-10-21)33(30)27(34)22-11-13-23(14-12-22)29(3,4)5/h6-16,19-20,24,26H,17-18H2,1-5H3,(H,35,36)/t24-,26+,30+/m1/s1