1-[2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-benzamido-3-benzoylsulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-benzamido-3-(benzoylthio)-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-benzamido-3-benzoylsulfanylpropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-benzamido-3-(benzoylthio)propanoyl]amino]propanoyl]proline Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-16(23(31)28-14-8-13-20(28)24(32)33)26-22(30)19(27-21(29)17-9-4-2-5-10-17)15-35-25(34)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,26,30)(H,27,29)(H,32,33)