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

Systemtic Name: 2-(butylsulfonylamino)-3-[2-[2-(3-piperidin-4-ylpropanoylamino)propanoylamino]ethanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[2-[2-[3-(4-piperidyl)propanoylamino]propanoylamino]acetyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-2-[[1-oxo-2-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[2-[2-(3-piperidin-4-ylpropanoylamino)propanoylamino]acetyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[2-[2-[3-(4-piperidyl)propanoylamino]propanoylamino]acetyl]amino]propionic acid Formula: C20H37N5O7S MolecularWeight: 491.60208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)C(C)NC(=O)CCC1CCNCC1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)C(C)NC(=O)CCC1CCNCC1)C(=O)O

InChI

InChI=1S/C20H37N5O7S/c1-3-4-11-33(31,32)25-16(20(29)30)12-22-18(27)13-23-19(28)14(2)24-17(26)6-5-15-7-9-21-10-8-15/h14-16,21,25H,3-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)(H,29,30)