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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propionic acid Formula: C20H22N6O8S MolecularWeight: 506.48908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])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+](=O)[O-])S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H22N6O8S/c21-18(22)12-5-7-13(8-6-12)19(28)23-10-9-17(27)24-11-14(20(29)30)25-35(33,34)16-4-2-1-3-15(16)26(31)32/h1-8,14,25H,9-11H2,(H3,21,22)(H,23,28)(H,24,27)(H,29,30)