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

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxoethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]acetyl]-2-keto-piperazino]acetic acid Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C16H19N5O5/c17-15(18)10-1-3-11(4-2-10)16(26)19-7-12(22)20-5-6-21(9-14(24)25)13(23)8-20/h1-4H,5-9H2,(H3,17,18)(H,19,26)(H,24,25)