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

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-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-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N4O6/c27-19(7-6-16-8-11-23-12-9-16)24-13-10-20(28)25-14-18(21(29)30)26-22(31)32-15-17-4-2-1-3-5-17/h1-5,16,18,23H,6-15H2,(H,24,27)(H,25,28)(H,26,31)(H,29,30)