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

Systemtic Name: 2-[(1-aminocarbonylcyclohexyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-3-yl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclohexanecarbonyl)anilino)-2-(3-pyridyl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclohexyl)-oxomethyl]anilino)-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclohexanecarbonyl)anilino)-2-pyridin-3-ylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclohexanecarbonyl)anilino)-2-(3-pyridyl)propionic acid Formula: C23H27N5O4 MolecularWeight: 437.49158

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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(CCCCC3)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(CCCCC3)C(=O)N

InChI

InChI=1S/C23H27N5O4/c1-22(21(31)32,16-6-5-13-27-14-16)28(17-9-7-15(8-10-17)18(24)25)20(30)23(19(26)29)11-3-2-4-12-23/h5-10,13-14H,2-4,11-12H2,1H3,(H3,24,25)(H2,26,29)(H,31,32)