3-acetamido-4-(2-thiophen-2-ylethanoylamino)-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-(2-thiophen-2-ylethanoylamino)-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-[[2-(2-thienyl)acetyl]amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-[(2-thiophen-2-ylacetyl)amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-[[2-(2-thienyl)acetyl]amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C17H22N2O8S MolecularWeight: 414.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NC(=O)CC2=CC=CS2

Isomeric SMILES

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NC(=O)CC2=CC=CS2

InChI

InChI=1S/C17H22N2O8S/c1-8(21)18-14-10(19-13(23)5-9-3-2-4-28-9)6-12(17(25)26)27-16(14)15(24)11(22)7-20/h2-4,6,10-11,14-16,20,22,24H,5,7H2,1H3,(H,18,21)(H,19,23)(H,25,26)