2-(3-sulfanylpropanoyl)-1-(triphenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(3-sulfanylpropanoyl)-1-(triphenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(3-sulfanylpropanoyl)-1-trityl-pyrrolidine-2-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-1-(triphenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(3-sulfanylpropanoyl)-1-tritylpyrrolidine-2-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-1-trityl-proline Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)CCS)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)CCS)C(=O)O

InChI

InChI=1S/C27H27NO3S/c29-24(17-20-32)26(25(30)31)18-10-19-28(26)27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,32H,10,17-20H2,(H,30,31)