3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-fluorophenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-fluorophenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-fluorophenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2-fluorophenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-fluorophenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-fluorophenyl)propionic acid Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)F

InChI

InChI=1S/C21H24FN3O3/c22-17-7-3-2-6-16(17)18(13-20(27)28)25-19(26)8-4-1-5-14-9-11-15(12-10-14)21(23)24/h2-3,6-7,9-12,18H,1,4-5,8,13H2,(H3,23,24)(H,25,26)(H,27,28)