(2S,4R,5R)-1-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-4-ethanoyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R,5R)-1-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-4-ethanoyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R,5R)-4-acetyl-1-(3-bromo-4-tert-butyl-benzoyl)-2-isobutyl-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R,5R)-4-acetyl-1-[(3-bromo-4-tert-butylphenyl)-oxomethyl]-2-(2-methylpropyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R,5R)-4-acetyl-1-(3-bromo-4-tert-butylbenzoyl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R,5R)-4-acetyl-1-(3-bromo-4-tert-butyl-benzoyl)-2-isobutyl-5-thiazol-2-yl-proline Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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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)Br)C3=NC=CS3)C(=O)C)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)Br)C3=NC=CS3)C(=O)C)C(=O)O

InChI

InChI=1S/C25H31BrN2O4S/c1-14(2)12-25(23(31)32)13-17(15(3)29)20(21-27-9-10-33-21)28(25)22(30)16-7-8-18(19(26)11-16)24(4,5)6/h7-11,14,17,20H,12-13H2,1-6H3,(H,31,32)/t17-,20+,25-/m0/s1