5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxo-pentanoic acid CAS Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxopentanoic acid IUPAC Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxopentanoic acid Traditional Name: 5-[4-(4-amidinophenyl)butylamino]-5-keto-4-(methanesulfonamido)valeric acid Formula: C17H26N4O5S MolecularWeight: 398.47714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC(=O)O)C(=O)NCCCCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(CCC(=O)O)C(=O)NCCCCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C17H26N4O5S/c1-27(25,26)21-14(9-10-15(22)23)17(24)20-11-3-2-4-12-5-7-13(8-6-12)16(18)19/h5-8,14,21H,2-4,9-11H2,1H3,(H3,18,19)(H,20,24)(H,22,23)