2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzamido-3-benzoylsulfanyl-propanoyl)amino]propanoic acid CAS Name: 2-[[2-benzamido-3-(benzoylthio)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[(2-benzamido-3-benzoylsulfanylpropanoyl)amino]propanoic acid Traditional Name: 2-[[2-benzamido-3-(benzoylthio)propanoyl]amino]propionic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O5S/c1-13(19(25)26)21-18(24)16(22-17(23)14-8-4-2-5-9-14)12-28-20(27)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,24)(H,22,23)(H,25,26)