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

Systemtic Name: 2-(ethylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(ethylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-(ethylsulfonylamino)-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(ethylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(esylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C16H30N4O6S MolecularWeight: 406.4976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N4O6S/c1-2-27(25,26)20-13(16(23)24)11-19-15(22)7-10-18-14(21)4-3-12-5-8-17-9-6-12/h12-13,17,20H,2-11H2,1H3,(H,18,21)(H,19,22)(H,23,24)