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

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N6O4/c21-19(22)13-3-5-15(6-4-13)26-9-8-25(20(26)30)12-17(27)24-16(10-18(28)29)14-2-1-7-23-11-14/h1-9,11,16H,10,12H2,(H3,21,22)(H,24,27)(H,28,29)