2-(butylsulfonylamino)-3-[2-(6-piperidin-4-ylhexanoylamino)ethanoylamino]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[2-(6-piperidin-4-ylhexanoylamino)ethanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[2-[6-(4-piperidyl)hexanoylamino]acetyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-2-[[1-oxo-6-(4-piperidinyl)hexyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[2-(6-piperidin-4-ylhexanoylamino)acetyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[2-[6-(4-piperidyl)hexanoylamino]acetyl]amino]propionic acid Formula: C20H38N4O6S MolecularWeight: 462.60392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)CCCCCC1CCNCC1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)CCCCCC1CCNCC1)C(=O)O

InChI

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