3-[5-(4-carbamimidoylphenyl)pentanoylamino]butanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]butanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]butanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]butyric acid Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H23N3O3/c1-11(10-15(21)22)19-14(20)5-3-2-4-12-6-8-13(9-7-12)16(17)18/h6-9,11H,2-5,10H2,1H3,(H3,17,18)(H,19,20)(H,21,22)