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

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-3-pyridin-2-yl-propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-3-(2-pyridyl)propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-3-(2-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-3-pyridin-2-ylpropanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-3-(2-pyridyl)propionic acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C21H24N6O4/c22-21(23)14-4-6-15(7-5-14)26-9-10-27(19(29)13-26)12-18(28)25-17(11-20(30)31)16-3-1-2-8-24-16/h1-8,17H,9-13H2,(H3,22,23)(H,25,28)(H,30,31)