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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propionic acid Formula: C23H30N4O5S MolecularWeight: 474.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C23H30N4O5S/c1-2-17-8-4-5-9-20(17)33(31,32)27-19(23(29)30)15-26-21(28)10-6-3-7-16-11-13-18(14-12-16)22(24)25/h4-5,8-9,11-14,19,27H,2-3,6-7,10,15H2,1H3,(H3,24,25)(H,26,28)(H,29,30)