2-azanyl-3-[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-2-thiophen-2-yl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-2-thiophen-2-yl-propanoic acid Openeye Name: 2-amino-3-(4-ethyl-2,3-dioxo-piperazin-1-yl)-3-oxo-2-(2-thienyl)propanoic acid CAS Name: 2-amino-3-(4-ethyl-2,3-dioxo-1-piperazinyl)-3-oxo-2-thiophen-2-ylpropanoic acid IUPAC Name: 2-amino-3-(4-ethyl-2,3-dioxopiperazin-1-yl)-3-oxo-2-thiophen-2-ylpropanoic acid Traditional Name: 2-amino-3-(4-ethyl-2,3-diketo-piperazino)-3-keto-2-(2-thienyl)propionic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)C(C2=CC=CS2)(C(=O)O)N

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)C(C2=CC=CS2)(C(=O)O)N

InChI

InChI=1S/C13H15N3O5S/c1-2-15-5-6-16(10(18)9(15)17)11(19)13(14,12(20)21)8-4-3-7-22-8/h3-4,7H,2,5-6,14H2,1H3,(H,20,21)