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

Systemtic Name: 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Openeye Name: 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid CAS Name: 3-(4-bromophenyl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-bromophenyl)propionic acid Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Br)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Br)C(=N)N

InChI

InChI=1S/C21H24BrN3O3/c22-17-11-9-15(10-12-17)18(13-20(27)28)25-19(26)4-2-1-3-14-5-7-16(8-6-14)21(23)24/h5-12,18H,1-4,13H2,(H3,23,24)(H,25,26)(H,27,28)