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

Systemtic Name: 2-(butylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C18H34N4O6S MolecularWeight: 434.55076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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