2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-3-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]-3-keto-piperazino]acetic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC(=O)O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1CC(=O)O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H21N5O4/c17-16(18)11-1-3-12(4-2-11)19-13(22)5-6-21-8-7-20(9-14(21)23)10-15(24)25/h1-4H,5-10H2,(H3,17,18)(H,19,22)(H,24,25)