2-(butylsulfonylamino)-3-[3-(5-piperidin-4-ylpentanoylamino)propanoylamino]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[3-(5-piperidin-4-ylpentanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[5-(4-piperidyl)pentanoylamino]propanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-3-[[1-oxo-5-(4-piperidinyl)pentyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-(5-piperidin-4-ylpentanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[3-[5-(4-piperidyl)pentanoylamino]propanoylamino]propionic acid Formula: C20H38N4O6S MolecularWeight: 462.60392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)CCCCC1CCNCC1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)CCCCC1CCNCC1)C(=O)O

InChI

InChI=1S/C20H38N4O6S/c1-2-3-14-31(29,30)24-17(20(27)28)15-23-19(26)10-13-22-18(25)7-5-4-6-16-8-11-21-12-9-16/h16-17,21,24H,2-15H2,1H3,(H,22,25)(H,23,26)(H,27,28)