tert-butyl 1-[5-azanyl-4-oxidanylidene-6-[3-(phenylcarbonyl)phenyl]hexanethioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[5-azanyl-4-oxidanylidene-6-[3-(phenylcarbonyl)phenyl]hexanethioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[5-amino-6-(3-benzoylphenyl)-4-oxo-hexanethioyl]pyrrolidine-2-carboxylate CAS Name: 1-[5-amino-6-(3-benzoylphenyl)-4-oxo-1-sulfanylidenehexyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-amino-6-(3-benzoylphenyl)-4-oxohexanethioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[5-amino-6-(3-benzoylphenyl)-4-keto-hexanethioyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)CCC(=O)C(CC2=CC=CC(=C2)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)CCC(=O)C(CC2=CC=CC(=C2)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C28H34N2O4S/c1-28(2,3)34-27(33)23-13-8-16-30(23)25(35)15-14-24(31)22(29)18-19-9-7-12-21(17-19)26(32)20-10-5-4-6-11-20/h4-7,9-12,17,22-23H,8,13-16,18,29H2,1-3H3