(2S,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-pyrazin-2-yl-5-thiophen-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-thiophen-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-thienyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-(2-pyrazinyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-thiophen-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-thienyl)proline Formula: C29H35N3O4S MolecularWeight: 521.6709

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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=CS3)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=CS3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C29H35N3O4S/c1-18(2)15-29(27(34)35)16-20(22-17-30-11-12-31-22)25(24-8-7-13-37-24)32(29)26(33)19-9-10-21(28(3,4)5)23(14-19)36-6/h7-14,17-18,20,25H,15-16H2,1-6H3,(H,34,35)/t20-,25-,29+/m1/s1