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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-[(4-methoxyphenyl)sulfonylamino]butyric acid Formula: C23H30N4O6S MolecularWeight: 490.5725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H30N4O6S/c1-33-19-10-12-20(13-11-19)34(31,32)26-15-18(14-22(29)30)27-21(28)5-3-2-4-16-6-8-17(9-7-16)23(24)25/h6-13,18,26H,2-5,14-15H2,1H3,(H3,24,25)(H,27,28)(H,29,30)