1-[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tritylamino)-3-tritylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tritylamino)-3-(tritylthio)propanoyl]proline Formula: C46H42N2O3S MolecularWeight: 702.90228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C46H42N2O3S/c49-43(48-33-19-32-42(48)44(50)51)41(47-45(35-20-7-1-8-21-35,36-22-9-2-10-23-36)37-24-11-3-12-25-37)34-52-46(38-26-13-4-14-27-38,39-28-15-5-16-29-39)40-30-17-6-18-31-40/h1-18,20-31,41-42,47H,19,32-34H2,(H,50,51)