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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCCC(=O)O

InChI

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