(2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate CAS Name: (2S)-2-[[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propionate Formula: C18H20N3O5S- MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O5S/c19-27(25,26)15-8-6-13(7-9-15)10-11-20-18(24)21-16(17(22)23)12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,22,23)(H2,19,25,26)(H2,20,21,24)/p-1/t16-/m0/s1