3-[2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)-3-oxo-piperazin-1-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)-3-oxopiperazin-1-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-3-keto-piperazino]acetyl]amino]propionic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC(=O)NCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1CC(=O)NCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

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