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

Systemtic Name: 2-[(1-aminocarbonylcyclopentyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopentyl)-oxomethyl]anilino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopentanecarbonyl)anilino)-3-(1H-indol-3-yl)propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C25H27N5O4/c26-21(27)15-7-9-17(10-8-15)30(24(34)25(23(28)33)11-3-4-12-25)20(22(31)32)13-16-14-29-19-6-2-1-5-18(16)19/h1-2,5-10,14,20,29H,3-4,11-13H2,(H3,26,27)(H2,28,33)(H,31,32)