2-(phenylsulfonylamino)-3-[3-(2-piperidin-4-yloxyethanoylamino)propanoylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[3-(2-piperidin-4-yloxyethanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[[2-(4-piperidyloxy)acetyl]amino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1-oxo-3-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-[(2-piperidin-4-yloxyacetyl)amino]propanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[3-[[2-(4-piperidyloxy)acetyl]amino]propanoylamino]propionic acid Formula: C19H28N4O7S MolecularWeight: 456.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNCCC1OCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N4O7S/c24-17(8-11-21-18(25)13-30-14-6-9-20-10-7-14)22-12-16(19(26)27)23-31(28,29)15-4-2-1-3-5-15/h1-5,14,16,20,23H,6-13H2,(H,21,25)(H,22,24)(H,26,27)