4-[[(2S)-3-ethanoyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[(2S)-3-ethanoyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]sulfamoyl]benzoic acid Openeye Name: 4-[[(2S)-3-acetyloxy-2-(tert-butoxycarbonylamino)propanoyl]sulfamoyl]benzoic acid CAS Name: 4-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(1-oxoethoxy)propyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[(2S)-3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]sulfamoyl]benzoic acid Traditional Name: 4-[[(2S)-3-acetyloxy-2-(tert-butoxycarbonylamino)propanoyl]sulfamoyl]benzoic acid Formula: C17H22N2O9S MolecularWeight: 431.422235

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[13C](=O)OC[C@@H](C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22N2O9S/c1-10(20)27-9-13(18-16(24)28-17(2,3)4)14(21)19-29(25,26)12-7-5-11(6-8-12)15(22)23/h5-8,13H,9H2,1-4H3,(H,18,24)(H,19,21)(H,22,23)/t13-/m0/s1/i10+1