1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-morpholin-4-yl-2-(pyrazol-1-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-morpholin-4-yl-2-(pyrazol-1-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-morpholino-2-(pyrazol-1-ylmethyl)-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(4-morpholinyl)-2-(1-pyrazolylmethyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-morpholin-4-yl-2-(pyrazol-1-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-morpholino-2-(pyrazol-1-ylmethyl)-5-thiazol-2-yl-proline Formula: C28H35N5O5S MolecularWeight: 553.673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(C(CC2(CN3C=CC=N3)C(=O)O)N4CCOCC4)C5=NC=CS5)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(C(CC2(CN3C=CC=N3)C(=O)O)N4CCOCC4)C5=NC=CS5)OC

InChI

InChI=1S/C28H35N5O5S/c1-27(2,3)20-7-6-19(16-22(20)37-4)25(34)33-23(24-29-9-15-39-24)21(31-11-13-38-14-12-31)17-28(33,26(35)36)18-32-10-5-8-30-32/h5-10,15-16,21,23H,11-14,17-18H2,1-4H3,(H,35,36)