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

Systemtic Name: 2-(butylsulfonylamino)-3-[2-(5-piperidin-4-ylpentanoylamino)ethanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[2-[5-(4-piperidyl)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-2-[[1-oxo-5-(4-piperidinyl)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[2-(5-piperidin-4-ylpentanoylamino)acetyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[2-[5-(4-piperidyl)pentanoylamino]acetyl]amino]propionic acid Formula: C19H36N4O6S MolecularWeight: 448.57734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36N4O6S/c1-2-3-12-30(28,29)23-16(19(26)27)13-21-18(25)14-22-17(24)7-5-4-6-15-8-10-20-11-9-15/h15-16,20,23H,2-14H2,1H3,(H,21,25)(H,22,24)(H,26,27)