(4S)-1-(2,2-dimethylpropanoyl)-4-diphenylphosphinothioyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (4S)-1-(2,2-dimethylpropanoyl)-4-diphenylphosphinothioyl-pyrrolidine-2-carboxylic acid Openeye Name: (4S)-1-(2,2-dimethylpropanoyl)-4-diphenylphosphinothioyl-pyrrolidine-2-carboxylic acid CAS Name: (4S)-1-(2,2-dimethyl-1-oxopropyl)-4-diphenylphosphinothioyl-2-pyrrolidinecarboxylic acid IUPAC Name: (4S)-1-(2,2-dimethylpropanoyl)-4-diphenylphosphinothioylpyrrolidine-2-carboxylic acid Traditional Name: (4S)-4-diphenylthiophosphoryl-1-pivaloyl-proline Formula: C22H26NO3PS MolecularWeight: 415.485501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(CC1C(=O)O)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1C[C@H](CC1C(=O)O)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26NO3PS/c1-22(2,3)21(26)23-15-18(14-19(23)20(24)25)27(28,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,24,25)/t18-,19?/m0/s1