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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c23-14-16-7-9-17(10-8-16)19(13-21(28)29)26-20(27)4-2-1-3-15-5-11-18(12-6-15)22(24)25/h5-12,19H,1-4,13H2,(H3,24,25)(H,26,27)(H,28,29)