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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3/c22-17-6-3-5-16(12-17)18(13-20(27)28)25-19(26)7-2-1-4-14-8-10-15(11-9-14)21(23)24/h3,5-6,8-12,18H,1-2,4,7,13H2,(H3,23,24)(H,25,26)(H,27,28)