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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propionic acid Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H28N4O6S/c1-32-18-7-3-4-8-19(18)33(30,31)26-17(22(28)29)14-25-20(27)9-5-2-6-15-10-12-16(13-11-15)21(23)24/h3-4,7-8,10-13,17,26H,2,5-6,9,14H2,1H3,(H3,23,24)(H,25,27)(H,28,29)