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

Systemtic Name: 2-[(1-aminocarbonylcyclopentyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-3-yl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-2-(3-pyridyl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopentyl)-oxomethyl]anilino)-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-2-pyridin-3-ylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopentanecarbonyl)anilino)-2-(3-pyridyl)propionic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCCC3)C(=O)N

Isomeric SMILES

CC(C1=CN=CC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCCC3)C(=O)N

InChI

InChI=1S/C22H25N5O4/c1-21(20(30)31,15-5-4-12-26-13-15)27(16-8-6-14(7-9-16)17(23)24)19(29)22(18(25)28)10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H3,23,24)(H2,25,28)(H,30,31)