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

Systemtic Name: 2-[(1-aminocarbonylcyclopentyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopentyl)-oxomethyl]anilino)-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propionic acid Formula: C20H24N6O4 MolecularWeight: 412.44236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CN3)C(=O)O

Isomeric SMILES

C1CCC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CN3)C(=O)O

InChI

InChI=1S/C20H24N6O4/c21-16(22)12-3-5-13(6-4-12)26(14(17(27)28)11-15-24-9-10-25-15)19(30)20(18(23)29)7-1-2-8-20/h3-6,9-10,14H,1-2,7-8,11H2,(H3,21,22)(H2,23,29)(H,24,25)(H,27,28)