phenylmethoxycarbonylamino 3-[[3-fluoranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-[[3-fluoranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[3-fluoro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[3-fluoro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C27H29FN6O5 MolecularWeight: 536.554763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4)F

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4)F

InChI

InChI=1S/C27H29FN6O5/c28-21-17-20(10-11-22(21)34-16-5-4-9-23(34)32-26-30-13-6-14-31-26)25(36)29-15-12-24(35)39-33-27(37)38-18-19-7-2-1-3-8-19/h1-3,6-8,10-11,13-14,17,23H,4-5,9,12,15-16,18H2,(H,29,36)(H,33,37)(H,30,31,32)