methanesulfonate; [2-(phenylcarbonyl)phenyl] 4-carbamimidoyl-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methanesulfonate; [2-(phenylcarbonyl)phenyl] 4-carbamimidoyl-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (2-benzoylphenyl) 6-(benzyloxycarbonylamino)-4-carbamimidoyl-hexanoate; methanesulfonate CAS Name: 4-carbamimidoyl-6-(phenylmethoxycarbonylamino)hexanoic acid (2-benzoylphenyl) ester; methanesulfonate IUPAC Name: (2-benzoylphenyl) 4-carbamimidoyl-6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonate Traditional Name: 4-amidino-6-(benzyloxycarbonylamino)hexanoic acid (2-benzoylphenyl) ester mesylate Formula: C29H32N3O8S- MolecularWeight: 582.64468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCCC(CCC(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCCC(CCC(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C28H29N3O5.CH4O3S/c29-27(30)22(17-18-31-28(34)35-19-20-9-3-1-4-10-20)15-16-25(32)36-24-14-8-7-13-23(24)26(33)21-11-5-2-6-12-21;1-5(2,3)4/h1-14,22H,15-19H2,(H3,29,30)(H,31,34);1H3,(H,2,3,4)/p-1