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

Systemtic Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]propanoic acid Openeye Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoic acid CAS Name: 2-[(2-aminophenyl)sulfonylamino]-3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-[(2-aminophenyl)sulfonylamino]propionic acid Formula: C20H24N6O6S MolecularWeight: 476.50616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H24N6O6S/c21-14-3-1-2-4-16(14)33(31,32)26-15(20(29)30)11-25-17(27)9-10-24-19(28)13-7-5-12(6-8-13)18(22)23/h1-8,15,26H,9-11,21H2,(H3,22,23)(H,24,28)(H,25,27)(H,29,30)