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

Systemtic Name: 2-acetamido-3-[1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(5-methylisoxazol-3-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2,5-diketo-1-(5-methylisoxazol-3-yl)pyrrolidin-3-yl]thio]propionic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C13H15N3O6S/c1-6-3-10(15-22-6)16-11(18)4-9(12(16)19)23-5-8(13(20)21)14-7(2)17/h3,8-9H,4-5H2,1-2H3,(H,14,17)(H,20,21)