2-acetamido-3-[1-(2-methyl-4-oxidanyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(2-methyl-4-oxidanyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-hydroxy-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(4-hydroxy-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-hydroxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(4-hydroxy-2-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C16H18N2O6S/c1-8-5-10(20)3-4-12(8)18-14(21)6-13(15(18)22)25-7-11(16(23)24)17-9(2)19/h3-5,11,13,20H,6-7H2,1-2H3,(H,17,19)(H,23,24)