2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)-2-propyl-hexanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)-2-propyl-hexanoic acid Openeye Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)-2-propyl-hexanoic acid CAS Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1-piperazinyl)-2-propylhexanoic acid IUPAC Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)-2-propylhexanoic acid Traditional Name: 6-(4-amidinophenoxy)-2-(2,3-diketopiperazino)-2-propyl-hexanoic acid Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCOC1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

Isomeric SMILES

CCCC(CCCCOC1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

InChI

InChI=1S/C20H28N4O5/c1-2-9-20(19(27)28,24-12-11-23-17(25)18(24)26)10-3-4-13-29-15-7-5-14(6-8-15)16(21)22/h5-8H,2-4,9-13H2,1H3,(H3,21,22)(H,23,25)(H,27,28)