3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-chloranyl-6-fluoranyl-phenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-chloranyl-6-fluoranyl-phenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-chloro-6-fluoro-phenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2-chloro-6-fluorophenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-chloro-6-fluorophenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-chloro-6-fluoro-phenyl)propionic acid Formula: C21H23ClFN3O3 MolecularWeight: 419.877023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O3/c22-15-5-3-6-16(23)20(15)17(12-19(28)29)26-18(27)7-2-1-4-13-8-10-14(11-9-13)21(24)25/h3,5-6,8-11,17H,1-2,4,7,12H2,(H3,24,25)(H,26,27)(H,28,29)