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

Systemtic Name: 2-(phenylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N4O6S/c25-18(7-6-15-8-11-21-12-9-15)22-13-10-19(26)23-14-17(20(27)28)24-31(29,30)16-4-2-1-3-5-16/h1-5,15,17,21,24H,6-14H2,(H,22,25)(H,23,26)(H,27,28)