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

Systemtic Name: 2-[(1-aminocarbonylcyclohexyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclohexanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclohexyl)-oxomethyl]anilino)-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclohexanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclohexanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propionic acid Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CN3)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CN3)C(=O)O

InChI

InChI=1S/C21H26N6O4/c22-17(23)13-4-6-14(7-5-13)27(15(18(28)29)12-16-25-10-11-26-16)20(31)21(19(24)30)8-2-1-3-9-21/h4-7,10-11,15H,1-3,8-9,12H2,(H3,22,23)(H2,24,30)(H,25,26)(H,28,29)