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

Systemtic Name: 2-(butylsulfonylamino)-3-[2-(4-piperidin-4-ylbutanoylamino)ethanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-2-[[1-oxo-4-(4-piperidinyl)butyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]propionic acid Formula: C18H34N4O6S MolecularWeight: 434.55076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)CCCC1CCNCC1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CNC(=O)CCCC1CCNCC1)C(=O)O

InChI

InChI=1S/C18H34N4O6S/c1-2-3-11-29(27,28)22-15(18(25)26)12-20-17(24)13-21-16(23)6-4-5-14-7-9-19-10-8-14/h14-15,19,22H,2-13H2,1H3,(H,20,24)(H,21,23)(H,25,26)