2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-4-yl-propanoic acid

Systemtic Name: 2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-4-yl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-2-(4-pyridyl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-2-pyridin-4-ylpropanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-2-pyridin-4-ylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-2-(4-pyridyl)propionic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CC3)C(=O)N

Isomeric SMILES

CC(C1=CC=NC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CC3)C(=O)N

InChI

InChI=1S/C20H21N5O4/c1-19(18(28)29,13-6-10-24-11-7-13)25(17(27)20(8-9-20)16(23)26)14-4-2-12(3-5-14)15(21)22/h2-7,10-11H,8-9H2,1H3,(H3,21,22)(H2,23,26)(H,28,29)