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

Systemtic Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-pyrazin-2-yl-5-pyridin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-pyrazin-2-yl-5-(2-pyridyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-(2-pyrazinyl)-5-(2-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-pyridin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-pyrazin-2-yl-5-(2-pyridyl)proline Formula: C30H36N4O4 MolecularWeight: 516.63124

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

InChI

InChI=1S/C30H36N4O4/c1-19(2)16-30(28(36)37)17-21(24-18-31-13-14-33-24)26(23-9-7-8-12-32-23)34(30)27(35)20-10-11-22(29(3,4)5)25(15-20)38-6/h7-15,18-19,21,26H,16-17H2,1-6H3,(H,36,37)/t21-,26-,30+/m1/s1