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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4)F

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4)F

InChI

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