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

Systemtic Name: phenylmethoxycarbonylamino 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C27H30N6O5 MolecularWeight: 518.5643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O5/c34-24(38-32-27(36)37-19-20-7-2-1-3-8-20)14-17-28-25(35)21-10-12-22(13-11-21)33-18-5-4-9-23(33)31-26-29-15-6-16-30-26/h1-3,6-8,10-13,15-16,23H,4-5,9,14,17-19H2,(H,28,35)(H,32,36)(H,29,30,31)