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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=NC=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CC3)C(=O)N

Isomeric SMILES

CC(C(=O)OC1=CC=NC=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CC3)C(=O)N

InChI

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