methyl 3-[[(2R)-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]benzoate

Systemtic Name: methyl 3-[[(2R)-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]benzoate Openeye Name: methyl 3-[[(2R)-2-(benzyloxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]benzoate CAS Name: 3-[[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]benzoate Traditional Name: 3-[[(2R)-2-(benzyloxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]benzoic acid methyl ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(CCCCNS(=O)(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)[C@@H](CCCCNS(=O)(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N4O7S/c1-32-21(28)17-10-7-11-18(14-17)25-20(27)19(12-5-6-13-24-34(23,30)31)26-22(29)33-15-16-8-3-2-4-9-16/h2-4,7-11,14,19,24H,5-6,12-13,15H2,1H3,(H,25,27)(H,26,29)(H2,23,30,31)/t19-/m1/s1