methanesulfonate; [2-(phenylcarbonyl)phenyl] 3-[(4-carbamimidoylphenyl)methoxycarbonylamino]propanoate

Systemtic Name: methanesulfonate; [2-(phenylcarbonyl)phenyl] 3-[(4-carbamimidoylphenyl)methoxycarbonylamino]propanoate Openeye Name: (2-benzoylphenyl) 3-[(4-carbamimidoylphenyl)methoxycarbonylamino]propanoate; methanesulfonate CAS Name: 3-[[(4-carbamimidoylphenyl)methoxy-oxomethyl]amino]propanoic acid (2-benzoylphenyl) ester; methanesulfonate IUPAC Name: (2-benzoylphenyl) 3-[(4-carbamimidoylphenyl)methoxycarbonylamino]propanoate; methanesulfonate Traditional Name: 3-[(4-amidinobenzyl)oxycarbonylamino]propionic acid (2-benzoylphenyl) ester mesylate Formula: C26H26N3O8S- MolecularWeight: 540.56494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCNC(=O)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCNC(=O)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H23N3O5.CH4O3S/c26-24(27)19-12-10-17(11-13-19)16-32-25(31)28-15-14-22(29)33-21-9-5-4-8-20(21)23(30)18-6-2-1-3-7-18;1-5(2,3)4/h1-13H,14-16H2,(H3,26,27)(H,28,31);1H3,(H,2,3,4)/p-1