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

Systemtic Name: 2-azanyl-3-[2,3-bis(oxidanylidene)piperazin-1-yl]-2-(4-ethylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-(2,3-dioxopiperazin-1-yl)-2-(4-ethylphenyl)-3-oxo-propanoic acid CAS Name: 2-amino-3-(2,3-dioxo-1-piperazinyl)-2-(4-ethylphenyl)-3-oxopropanoic acid IUPAC Name: 2-amino-3-(2,3-dioxopiperazin-1-yl)-2-(4-ethylphenyl)-3-oxopropanoic acid Traditional Name: 2-amino-3-(2,3-diketopiperazino)-2-(4-ethylphenyl)-3-keto-propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=O)N2CCNC(=O)C2=O)(C(=O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(=O)N2CCNC(=O)C2=O)(C(=O)O)N

InChI

InChI=1S/C15H17N3O5/c1-2-9-3-5-10(6-4-9)15(16,14(22)23)13(21)18-8-7-17-11(19)12(18)20/h3-6H,2,7-8,16H2,1H3,(H,17,19)(H,22,23)