3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfinylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfinylphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfinylphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2-methylsulfinylphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfinylphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-methylsulfinylphenyl)propionic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC=C1C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CS(=O)C1=CC=CC=C1C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N3O4S/c1-30(29)19-8-4-3-7-17(19)18(14-21(27)28)25-20(26)9-5-2-6-15-10-12-16(13-11-15)22(23)24/h3-4,7-8,10-13,18H,2,5-6,9,14H2,1H3,(H3,23,24)(H,25,26)(H,27,28)