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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=N1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCCCC3)C(=O)N

Isomeric SMILES

CC(C(=O)OC1=CC=CC=N1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCCCC3)C(=O)N

InChI

InChI=1S/C23H27N5O4/c1-15(20(29)32-18-7-3-6-14-27-18)28(17-10-8-16(9-11-17)19(24)25)22(31)23(21(26)30)12-4-2-5-13-23/h3,6-11,14-15H,2,4-5,12-13H2,1H3,(H3,24,25)(H2,26,30)