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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-cyanophenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-cyanophenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3-cyanophenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-cyanophenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3-cyanophenyl)propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c23-14-16-5-3-6-18(12-16)19(13-21(28)29)26-20(27)7-2-1-4-15-8-10-17(11-9-15)22(24)25/h3,5-6,8-12,19H,1-2,4,7,13H2,(H3,24,25)(H,26,27)(H,28,29)