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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-(o-tolylsulfonylamino)propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-(o-tolylsulfonylamino)propionic acid Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C21H25N5O6S/c1-13-4-2-3-5-17(13)33(31,32)26-16(21(29)30)12-25-18(27)10-11-24-20(28)15-8-6-14(7-9-15)19(22)23/h2-9,16,26H,10-12H2,1H3,(H3,22,23)(H,24,28)(H,25,27)(H,29,30)