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

Systemtic Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-methyl-2-(2-methylpropyl)-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-methyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5S)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-5-methyl-2-(2-methylpropyl)-4-(2-pyrazinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxybenzoyl)-5-methyl-2-(2-methylpropyl)-4-pyrazin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-methyl-4-pyrazin-2-yl-proline Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)(CC(C)C)C(=O)O)C3=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4/c1-16(2)13-26(24(31)32)14-19(21-15-27-10-11-28-21)17(3)29(26)23(30)18-8-9-20(25(4,5)6)22(12-18)33-7/h8-12,15-17,19H,13-14H2,1-7H3,(H,31,32)/t17-,19-,26-/m0/s1