2-acetamido-3-[1-(3-ethanoylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(3-ethanoylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(3-acetylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(3-acetylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(3-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(3-acetylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H18N2O6S/c1-9(20)11-4-3-5-12(6-11)19-15(22)7-14(16(19)23)26-8-13(17(24)25)18-10(2)21/h3-6,13-14H,7-8H2,1-2H3,(H,18,21)(H,24,25)