(2R,4S)-1-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-4-(methoxymethyl)-5-(5-methyl-1,2-oxazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-1-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-4-(methoxymethyl)-5-(5-methyl-1,2-oxazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-1-(3-bromo-4-tert-butyl-benzoyl)-4-(methoxymethyl)-5-(5-methylisoxazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-1-[(3-bromo-4-tert-butylphenyl)-oxomethyl]-4-(methoxymethyl)-5-(5-methyl-3-isoxazolyl)-2-(1-pyrazolylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-1-(3-bromo-4-tert-butylbenzoyl)-4-(methoxymethyl)-5-(5-methyl-1,2-oxazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-1-(3-bromo-4-tert-butyl-benzoyl)-4-(methoxymethyl)-5-(5-methylisoxazol-3-yl)-2-(pyrazol-1-ylmethyl)proline Formula: C26H31BrN4O5 MolecularWeight: 559.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2C(CC(N2C(=O)C3=CC(=C(C=C3)C(C)(C)C)Br)(CN4C=CC=N4)C(=O)O)COC

Isomeric SMILES

CC1=CC(=NO1)C2[C@H](C[C@@](N2C(=O)C3=CC(=C(C=C3)C(C)(C)C)Br)(CN4C=CC=N4)C(=O)O)COC

InChI

InChI=1S/C26H31BrN4O5/c1-16-11-21(29-36-16)22-18(14-35-5)13-26(24(33)34,15-30-10-6-9-28-30)31(22)23(32)17-7-8-19(20(27)12-17)25(2,3)4/h6-12,18,22H,13-15H2,1-5H3,(H,33,34)/t18-,22?,26-/m1/s1