3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propionic acid Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6S/c1-2-14-5-3-4-6-18(14)34(32,33)27-17(22(30)31)13-26-19(28)11-12-25-21(29)16-9-7-15(8-10-16)20(23)24/h3-10,17,27H,2,11-13H2,1H3,(H3,23,24)(H,25,29)(H,26,28)(H,30,31)