3-[2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]pyridin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]pyridin-3-yl]propanoic acid Openeye Name: 3-[2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-pyridyl]propanoic acid CAS Name: 3-[2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-3-pyridinyl]propanoic acid IUPAC Name: 3-[2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)pyridin-3-yl]propanoic acid Traditional Name: 3-[2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-pyridyl]propionic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C3=C(C=CC=N3)CCC(=O)O

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C3=C(C=CC=N3)CCC(=O)O

InChI

InChI=1S/C20H21N5O4/c21-16(22)12-3-6-14(7-4-12)25(19(29)20(9-10-20)18(23)28)17-13(2-1-11-24-17)5-8-15(26)27/h1-4,6-7,11H,5,8-10H2,(H3,21,22)(H2,23,28)(H,26,27)