2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]ethyl]-2-keto-piperazino]acetic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CCNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1CCNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

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