tert-butyl 1-[2-[[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[(2-benzamido-2-benzoylsulfanyl-acetyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-benzamido-2-(benzoylthio)-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[(2-benzamido-2-benzoylsulfanylacetyl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-benzamido-2-(benzoylthio)acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C(NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C(NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O6S/c1-18(25(34)31-17-11-16-21(31)26(35)37-28(2,3)4)29-23(33)24(30-22(32)19-12-7-5-8-13-19)38-27(36)20-14-9-6-10-15-20/h5-10,12-15,18,21,24H,11,16-17H2,1-4H3,(H,29,33)(H,30,32)