5-[(4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylic acid

Systemtic Name: 5-[(4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylic acid Openeye Name: 5-[[3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid CAS Name: 5-[[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid IUPAC Name: 5-[(1-anilino-4-methyl-1-oxopentan-2-yl)carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid Traditional Name: 2,2-diketo-5-[[3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-1,3,2-dioxathiolane-4-carboxylic acid Formula: C16H20N2O8S MolecularWeight: 400.4036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C2C(OS(=O)(=O)O2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C2C(OS(=O)(=O)O2)C(=O)O

InChI

InChI=1S/C16H20N2O8S/c1-9(2)8-11(14(19)17-10-6-4-3-5-7-10)18-15(20)12-13(16(21)22)26-27(23,24)25-12/h3-7,9,11-13H,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)