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

Systemtic Name: 2-[(phenylmethyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(benzylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]-2-[(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: 2-(benzylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(benzylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H32N4O6S/c26-19(7-6-16-8-11-22-12-9-16)23-13-10-20(27)24-14-18(21(28)29)25-32(30,31)15-17-4-2-1-3-5-17/h1-5,16,18,22,25H,6-15H2,(H,23,26)(H,24,27)(H,28,29)