4-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]methyl]proline Formula: C33H36N2O4S MolecularWeight: 556.71494

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CC2CC(NC2)C(=O)O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)N1CC(CC1CC2CC(NC2)C(=O)O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N2O4S/c1-2-18-39-32(38)35-23-29(21-28(35)19-24-20-30(31(36)37)34-22-24)40-33(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h2-17,24,28-30,34H,1,18-23H2,(H,36,37)